2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide

C14H18N4O2 — CID 174176847

IUPAC2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
SMILESCC(NC(=O)N1C(=O)CC1/C(N)=C/N)c1ccccc1
InChIInChI=1S/C14H18N4O2/c1-9(10-5-3-2-4-6-10)17-14(20)18-12(7-13(18)19)11(16)8-15/h2-6,8-9,12H,7,15-16H2,1H3,(H,17,20)/b11-8-
InChIKeyBVJKIXUCTSAWKB-FLIBITNWSA-N
MW274.32 g/mol
LogP0.82
Rot. Bonds3

About 2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide

2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide (PubChem CID 174176847) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
PubChem CID174176847
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
SMILESCC(NC(=O)N1C(=O)CC1/C(N)=C/N)c1ccccc1
InChIInChI=1S/C14H18N4O2/c1-9(10-5-3-2-4-6-10)17-14(20)18-12(7-13(18)19)11(16)8-15/h2-6,8-9,12H,7,15-16H2,1H3,(H,17,20)/b11-8-
InChIKeyBVJKIXUCTSAWKB-FLIBITNWSA-N
XLogP0.82
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
CID 144900037
2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide
CID 144899681
(2R)-2-(2-fluorophenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide
CID 155560672
(2S)-2-(4-fluorophenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide
CID 155551646
(4S)-2-oxo-N-[(1R)-1-phenylethyl]-4-[4-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide
CID 155529221
(2R)-2-(4-methoxyphenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide
CID 53363760
(5S)-2-oxo-5-phenyl-N-[(1S)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 13293397
2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide;4-methylpyridin-2-amine
CID 144899680
1-(1-isoquinolin-4-ylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid
CID 123898378
1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide
CID 68623726
methyl (2S,3S)-3-methyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate
CID 70323121
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide?
The IUPAC name of 2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide (CID 174176847) is 2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide.
What is the SMILES notation for 2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide?
The canonical SMILES for 2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide is CC(NC(=O)N1C(=O)CC1/C(N)=C/N)c1ccccc1.
What is the InChIKey of 2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide?
The InChIKey is BVJKIXUCTSAWKB-FLIBITNWSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(10-5-3-2-4-6-10)17-14(20)18-12(7-13(18)19)11(16)8-15/h2-6,8-9,12H,7,15-16H2,1H3,(H,17,20)/b11-8-.
What are the key properties of 2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide?
2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide is sourced from PubChem (CID 174176847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).