4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide

C24H32N2O — CID 94024816

IUPAC4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(CN2CCCCCC2)cc1)c1ccc(C)cc1
InChIInChI=1S/C24H32N2O/c1-3-23(21-12-8-19(2)9-13-21)25-24(27)22-14-10-20(11-15-22)18-26-16-6-4-5-7-17-26/h8-15,23H,3-7,16-18H2,1-2H3,(H,25,27)/t23-/m0/s1
InChIKeyUKEYUWKFSJAQPZ-QHCPKHFHSA-N
MW364.53 g/mol
LogP5.25
Rot. Bonds6

About 4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide

4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide (PubChem CID 94024816) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
PubChem CID94024816
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(CN2CCCCCC2)cc1)c1ccc(C)cc1
InChIInChI=1S/C24H32N2O/c1-3-23(21-12-8-19(2)9-13-21)25-24(27)22-14-10-20(11-15-22)18-26-16-6-4-5-7-17-26/h8-15,23H,3-7,16-18H2,1-2H3,(H,25,27)/t23-/m0/s1
InChIKeyUKEYUWKFSJAQPZ-QHCPKHFHSA-N
XLogP5.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94014052
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 24654813
N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131939571
4-(azepan-1-ylmethyl)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]benzamide
CID 94014120
N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 46766789
4-(azepan-1-ylmethyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 94014174
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94014114
1-[(4-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024761
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide
CID 28579988
4-(methoxymethyl)-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 8624127

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide?
The IUPAC name of 4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide (CID 94024816) is 4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide.
What is the SMILES notation for 4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide?
The canonical SMILES for 4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide is CC[C@H](NC(=O)c1ccc(CN2CCCCCC2)cc1)c1ccc(C)cc1.
What is the InChIKey of 4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide?
The InChIKey is UKEYUWKFSJAQPZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H32N2O/c1-3-23(21-12-8-19(2)9-13-21)25-24(27)22-14-10-20(11-15-22)18-26-16-6-4-5-7-17-26/h8-15,23H,3-7,16-18H2,1-2H3,(H,25,27)/t23-/m0/s1.
What are the key properties of 4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide?
4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide has a molecular weight of 364.53 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide is sourced from PubChem (CID 94024816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).