Cas no 59411-44-8 (2-Butenediamide, N,N'-diphenyl-, (2Z)-)
59411-44-8 structure
Product Name:2-Butenediamide, N,N'-diphenyl-, (2Z)-
CAS No:59411-44-8
MF:C16H14N2O2
MW:266.294563770294
CID:338749
PubChem ID:53916850
Update Time:2025-04-19
2-Butenediamide, N,N'-diphenyl-, (2Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenediamide, N,N'-diphenyl-, (2Z)-
- N,N'-diphenylbut-2-enediamide
- DTXSID40707647
- 59411-44-8
- N~1~,N~4~-Diphenylbut-2-enediamide
-
- Inchi： 1S/C16H14N2O2/c19-15(17-13-7-3-1-4-8-13)11-12-16(20)18-14-9-5-2-6-10-14/h1-12H,(H,17,19)(H,18,20)
- InChI Key： IHQGFLBAZMFEQN-UHFFFAOYSA-N
- SMILES： O=C(C=CC(NC1C=CC=CC=1)=O)NC1C=CC=CC=1
Computed Properties
- Exact Mass: 266.10562
- Monoisotopic Mass: 266.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 320
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.7
- Topological Polar Surface Area: 58.2?2
Experimental Properties
- PSA: 58.2
2-Butenediamide, N,N'-diphenyl-, (2Z)- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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