N-(azepan-4-yl)-4-phenylbutanamide

C16H24N2O — CID 105059135

IUPACN-(azepan-4-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NC1CCCNCC1
InChIInChI=1S/C16H24N2O/c19-16(18-15-9-5-12-17-13-11-15)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2,(H,18,19)
InChIKeyQCHSCTLMWNFLCT-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.27
Rot. Bonds5

About N-(azepan-4-yl)-4-phenylbutanamide

N-(azepan-4-yl)-4-phenylbutanamide (PubChem CID 105059135) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(azepan-4-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-4-phenylbutanamide
PubChem CID105059135
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(azepan-4-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NC1CCCNCC1
InChIInChI=1S/C16H24N2O/c19-16(18-15-9-5-12-17-13-11-15)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2,(H,18,19)
InChIKeyQCHSCTLMWNFLCT-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-N-piperidin-4-ylhexanamide
CID 154665785
3-phenyl-N-piperidin-4-ylpropanamide
CID 16795625
N-[(4S)-2-oxoazepan-4-yl]-4-phenylbutanamide
CID 18648130
2-phenyl-N-piperidin-4-ylacetamide
CID 1445168
4-(4-methoxyphenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119385919
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide
CID 75482244
4-(3,4-dichlorophenyl)-N-piperidin-4-ylbutanamide
CID 119388494
4-(3,4-dichlorophenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119388493
4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453431
N-(1-ethylpiperidin-4-yl)-4-phenylbutanamide
CID 17250229
N-(azepan-4-yl)dodecanamide
CID 105060891

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-4-phenylbutanamide?
The IUPAC name of N-(azepan-4-yl)-4-phenylbutanamide (CID 105059135) is N-(azepan-4-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(azepan-4-yl)-4-phenylbutanamide?
The canonical SMILES for N-(azepan-4-yl)-4-phenylbutanamide is O=C(CCCc1ccccc1)NC1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-4-phenylbutanamide?
The InChIKey is QCHSCTLMWNFLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c19-16(18-15-9-5-12-17-13-11-15)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2,(H,18,19).
What are the key properties of N-(azepan-4-yl)-4-phenylbutanamide?
N-(azepan-4-yl)-4-phenylbutanamide has a molecular weight of 260.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-4-phenylbutanamide is sourced from PubChem (CID 105059135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).