Cas no 5659-18-7 (2-methyl-3-oxo-N-phenylpentanamide)
5659-18-7 structure
Product Name:2-methyl-3-oxo-N-phenylpentanamide
CAS No:5659-18-7
MF:C12H15NO2
MW:205.253003358841
CID:945583
PubChem ID:268266
Update Time:2025-04-19
2-methyl-3-oxo-N-phenylpentanamide Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-3-oxo-N-phenylpentanamide
- 2,4-Dimethylacetoacetanilide
- 3-Oxo-2-methylpentananilid
- AC1L6JWJ
- AC1Q5N75
- AR-1D3710
- CTK5A5382
- KSC605G8F
- NSC108421
- 2-methyl-3-oxo-N-phenyl-pentanamide
- 5659-18-7
- SCHEMBL1117859
- AKOS015841177
- NSC-108421
- DTXSID70296231
- DS-013445
-
- Inchi： 1S/C12H15NO2/c1-3-11(14)9(2)12(15)13-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)
- InChI Key： CNOVGQUKNBMXKK-UHFFFAOYSA-N
- SMILES： O=C(CC)C(C)C(NC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 205.11035
- Monoisotopic Mass: 205.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 232
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 46.2?2
Experimental Properties
- Density: 1.103
- Boiling Point: 384.4°C at 760 mmHg
- Flash Point: 158.8°C
- Refractive Index: 1.547
- PSA: 46.17
- LogP: 2.31330
2-methyl-3-oxo-N-phenylpentanamide Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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