Cas no 102810-33-3 (Methyl 4-[4-[(4-methoxycarbonylbenzoyl)amino]butylcarbamoyl]benzoate)

Methyl 4-[4-[(4-methoxycarbonylbenzoyl)amino]butylcarbamoyl]benzoate structure
102810-33-3 structure
Product Name:Methyl 4-[4-[(4-methoxycarbonylbenzoyl)amino]butylcarbamoyl]benzoate
CAS No:102810-33-3
MF:C22H24N2O6
MW:412.435766220093
CID:1134503
PubChem ID:3277465
Update Time:2025-04-20

Methyl 4-[4-[(4-methoxycarbonylbenzoyl)amino]butylcarbamoyl]benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-[4-[(4-methoxycarbonylbenzoyl)amino]butylcarbamoyl]benzoate
    • N,N'-bis-(4-methoxycarbonylbenzoyl)-1,4-butanediamine
    • Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester
    • N,N'-butanediyl-bis-terephthalamic acid dimethyl ester
    • N,N'-Butandiyl-bis-terephthalamidsaeure-dimethylester
    • N,N'-Di(4-carbomethoxybenzoyl)-1,4-butanediamine
    • ACMC-20m5rq
    • ZINC05320317
    • SureCN5554988
    • AKOS003248389
    • N,N'-Bis-(4-methoxycarbonyl-benzoyl)-tetramethylendiamin
    • AC1MLYCD
    • AmbscR-051394
    • CTK0G7387
    • N,N'-bis-(4-methoxycarbonylbenzoyl)-1,4-butanediamine; Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester; N,N'-butanediyl-bis-terephthalamic acid dimethyl ester; N,N'-Butandiyl-bis-terephthalamidsaeure-dimethylester; N,N'-Di(4-carbomethoxybenzoyl)-1,4-butanediamine; ACMC-20m5rq; ZINC05320317; SureCN5554988; AKOS003248389; N,N'-Bis-(4-methoxycarbonyl-benzoyl)-tetramethylendiamin; AC1MLYCD; AmbscR-051394; CTK0G7387
    • SCHEMBL5554988
    • DTXSID20390955
    • OIPHSVWJGAJSDR-UHFFFAOYSA-N
    • 102810-33-3
    • Inchi： 1S/C22H24N2O6/c1-29-21(27)17-9-5-15(6-10-17)19(25)23-13-3-4-14-24-20(26)16-7-11-18(12-8-16)22(28)30-2/h5-12H,3-4,13-14H2,1-2H3,(H,23,25)(H,24,26)
    • InChI Key： OIPHSVWJGAJSDR-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CC(C(=O)OC)=CC=1)NCCCCNC(C1C=CC(C(=O)OC)=CC=1)=O

Computed Properties

  • Exact Mass: 412.16352
  • Monoisotopic Mass: 412.16343649g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 11
  • Complexity: 540
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 111?2

Experimental Properties

  • PSA: 110.8

Methyl 4-[4-[(4-methoxycarbonylbenzoyl)amino]butylcarbamoyl]benzoate Related Literature

102810-33-3 (Methyl 4-[4-[(4-methoxycarbonylbenzoyl)amino]butylcarbamoyl]benzoate) Related Products

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