2-cyano-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide

C13H13N3O2 — CID 144900037

IUPAC2-cyano-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
SMILESCC(NC(=O)N1C(=O)CC1C#N)c1ccccc1
InChIInChI=1S/C13H13N3O2/c1-9(10-5-3-2-4-6-10)15-13(18)16-11(8-14)7-12(16)17/h2-6,9,11H,7H2,1H3,(H,15,18)
InChIKeyZWEKZXCZXICTCG-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.58
Rot. Bonds2

About 2-cyano-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide

2-cyano-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide (PubChem CID 144900037) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-cyano-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name2-cyano-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
PubChem CID144900037
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-cyano-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
SMILESCC(NC(=O)N1C(=O)CC1C#N)c1ccccc1
InChIInChI=1S/C13H13N3O2/c1-9(10-5-3-2-4-6-10)15-13(18)16-11(8-14)7-12(16)17/h2-6,9,11H,7H2,1H3,(H,15,18)
InChIKeyZWEKZXCZXICTCG-UHFFFAOYSA-N
XLogP1.58
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
CID 174176847
(2R)-2-(2-fluorophenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide
CID 155560672
(5S)-2-oxo-5-phenyl-N-[(1S)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 13293397
(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
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
methyl (2S,3S)-3-methyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate
CID 70323121
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928
N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
N-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide
CID 70513646
N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide
CID 122568655

Frequently Asked Questions

What is the IUPAC name of 2-cyano-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide?
The IUPAC name of 2-cyano-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide (CID 144900037) is 2-cyano-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide.
What is the SMILES notation for 2-cyano-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide?
The canonical SMILES for 2-cyano-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide is CC(NC(=O)N1C(=O)CC1C#N)c1ccccc1.
What is the InChIKey of 2-cyano-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide?
The InChIKey is ZWEKZXCZXICTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9(10-5-3-2-4-6-10)15-13(18)16-11(8-14)7-12(16)17/h2-6,9,11H,7H2,1H3,(H,15,18).
What are the key properties of 2-cyano-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide?
2-cyano-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide is sourced from PubChem (CID 144900037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).