N-[(4S)-2-oxoazepan-4-yl]-4-phenylbutanamide

C16H22N2O2 — CID 18648130

IUPACN-[(4S)-2-oxoazepan-4-yl]-4-phenylbutanamide
SMILESO=C1C[C@@H](NC(=O)CCCc2ccccc2)CCCN1
InChIInChI=1S/C16H22N2O2/c19-15(10-4-8-13-6-2-1-3-7-13)18-14-9-5-11-17-16(20)12-14/h1-3,6-7,14H,4-5,8-12H2,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyPUMOCROBTOUCJP-AWEZNQCLSA-N
MW274.36 g/mol
LogP1.79
Rot. Bonds5

About N-[(4S)-2-oxoazepan-4-yl]-4-phenylbutanamide

N-[(4S)-2-oxoazepan-4-yl]-4-phenylbutanamide (PubChem CID 18648130) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(4S)-2-oxoazepan-4-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(4S)-2-oxoazepan-4-yl]-4-phenylbutanamide
PubChem CID18648130
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(4S)-2-oxoazepan-4-yl]-4-phenylbutanamide
SMILESO=C1C[C@@H](NC(=O)CCCc2ccccc2)CCCN1
InChIInChI=1S/C16H22N2O2/c19-15(10-4-8-13-6-2-1-3-7-13)18-14-9-5-11-17-16(20)12-14/h1-3,6-7,14H,4-5,8-12H2,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyPUMOCROBTOUCJP-AWEZNQCLSA-N
XLogP1.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azepan-4-yl)-4-phenylbutanamide
CID 105059135
6-phenyl-N-piperidin-4-ylhexanamide
CID 154665785
(Z)-N-[(4S)-2-oxoazepan-4-yl]octadec-9-enamide
CID 66909977
2-methyl-N-(2-oxoazepan-4-yl)-3-phenylprop-2-enamide
CID 54223093
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 95985193
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide
CID 75482244
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
N-(3,3-dimethylcyclopentyl)-4-phenylbutanamide
CID 115880624
3-phenylpropyl 4-(cyclohexylamino)-4-oxobutanoate
CID 4779106
3-phenyl-N-piperidin-4-ylpropanamide
CID 16795625
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2-oxoazepan-4-yl]-4-phenylbutanamide?
The IUPAC name of N-[(4S)-2-oxoazepan-4-yl]-4-phenylbutanamide (CID 18648130) is N-[(4S)-2-oxoazepan-4-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[(4S)-2-oxoazepan-4-yl]-4-phenylbutanamide?
The canonical SMILES for N-[(4S)-2-oxoazepan-4-yl]-4-phenylbutanamide is O=C1C[C@@H](NC(=O)CCCc2ccccc2)CCCN1.
What is the InChIKey of N-[(4S)-2-oxoazepan-4-yl]-4-phenylbutanamide?
The InChIKey is PUMOCROBTOUCJP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15(10-4-8-13-6-2-1-3-7-13)18-14-9-5-11-17-16(20)12-14/h1-3,6-7,14H,4-5,8-12H2,(H,17,20)(H,18,19)/t14-/m0/s1.
What are the key properties of N-[(4S)-2-oxoazepan-4-yl]-4-phenylbutanamide?
N-[(4S)-2-oxoazepan-4-yl]-4-phenylbutanamide has a molecular weight of 274.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2-oxoazepan-4-yl]-4-phenylbutanamide is sourced from PubChem (CID 18648130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).