N-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide

C17H22N2O2 — CID 94660208

IUPACN-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide
SMILESO=C1NCCCC[C@@H]1NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H22N2O2/c20-15-14(9-4-5-12-18-15)19-16(21)17(10-6-11-17)13-7-2-1-3-8-13/h1-3,7-8,14H,4-6,9-12H2,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyKULOQKSGEXXPQO-AWEZNQCLSA-N
MW286.37 g/mol
LogP1.89
Rot. Bonds3

About N-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide

N-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 94660208) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide
PubChem CID94660208
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide
SMILESO=C1NCCCC[C@@H]1NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H22N2O2/c20-15-14(9-4-5-12-18-15)19-16(21)17(10-6-11-17)13-7-2-1-3-8-13/h1-3,7-8,14H,4-6,9-12H2,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyKULOQKSGEXXPQO-AWEZNQCLSA-N
XLogP1.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-oxoazepan-3-yl)carbamic acid
CID 18612606
1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide
CID 43704094
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
1-amino-N-(2-oxopiperidin-3-yl)cyclopropane-1-carboxamide
CID 65466237
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762
3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030740
4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
CID 119708546
(2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 61180000
2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 43704102
1-amino-N-(2-oxopiperidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119307987
6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide
CID 107262114

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide (CID 94660208) is N-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide is O=C1NCCCC[C@@H]1NC(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is KULOQKSGEXXPQO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-15-14(9-4-5-12-18-15)19-16(21)17(10-6-11-17)13-7-2-1-3-8-13/h1-3,7-8,14H,4-6,9-12H2,(H,18,20)(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide?
N-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 94660208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).