2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide

C16H24N2O — CID 108997193

IUPAC2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCCCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-14-6-8-15(9-7-14)12-17-16(19)13-18-10-4-2-3-5-11-18/h6-9H,2-5,10-13H2,1H3,(H,17,19)
InChIKeyNPDZIXPUBKSNFS-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.49
Rot. Bonds4

About 2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide

2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 108997193) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID108997193
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCCCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-14-6-8-15(9-7-14)12-17-16(19)13-18-10-4-2-3-5-11-18/h6-9H,2-5,10-13H2,1H3,(H,17,19)
InChIKeyNPDZIXPUBKSNFS-UHFFFAOYSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2-methylprop-2-enyl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide
CID 145270243
N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 110687973
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 38743222
1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046327
N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9325430
4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide
CID 3367291
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31642761
2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616915
1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid
CID 119907519
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119933946

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 108997193) is 2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN2CCCCCC2)cc1.
What is the InChIKey of 2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is NPDZIXPUBKSNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-14-6-8-15(9-7-14)12-17-16(19)13-18-10-4-2-3-5-11-18/h6-9H,2-5,10-13H2,1H3,(H,17,19).
What are the key properties of 2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 108997193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).