1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone

C16H24N2O2 — CID 28575460

IUPAC1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
SMILESCOc1ccc(CNCC(=O)N2CCCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-20-15-8-6-14(7-9-15)12-17-13-16(19)18-10-4-2-3-5-11-18/h6-9,17H,2-5,10-13H2,1H3
InChIKeyWOCKMWHXUAEVNM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.19
Rot. Bonds5

About 1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone

1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone (PubChem CID 28575460) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
PubChem CID28575460
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
SMILESCOc1ccc(CNCC(=O)N2CCCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-20-15-8-6-14(7-9-15)12-17-13-16(19)18-10-4-2-3-5-11-18/h6-9,17H,2-5,10-13H2,1H3
InChIKeyWOCKMWHXUAEVNM-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 108947043
2-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 110712460
N-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941955
2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 56799660
2-[(4-methylsulfonylphenyl)methylamino]-1-piperidin-1-ylethanone
CID 61066727
2-[(3-bromo-4-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 112684699
2-[(4-methoxyphenyl)methylamino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 1429409
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methylamino]ethanone
CID 108998529
2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone
CID 62990090
2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54837978
1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 28570429
methyl 5-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carboxylate
CID 112684787

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone (CID 28575460) is 1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone is COc1ccc(CNCC(=O)N2CCCCCC2)cc1.
What is the InChIKey of 1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone?
The InChIKey is WOCKMWHXUAEVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-15-8-6-14(7-9-15)12-17-13-16(19)18-10-4-2-3-5-11-18/h6-9,17H,2-5,10-13H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone?
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone has a molecular weight of 276.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone is sourced from PubChem (CID 28575460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).