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

C16H24N2O2 — CID 28570429

IUPAC1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
SMILESCOc1ccccc1CNCC(=O)N1CCCCCC1
InChIInChI=1S/C16H24N2O2/c1-20-15-9-5-4-8-14(15)12-17-13-16(19)18-10-6-2-3-7-11-18/h4-5,8-9,17H,2-3,6-7,10-13H2,1H3
InChIKeyMPVORBQTTDWVSA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.19
Rot. Bonds5

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

1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone (PubChem CID 28570429) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
PubChem CID28570429
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
SMILESCOc1ccccc1CNCC(=O)N1CCCCCC1
InChIInChI=1S/C16H24N2O2/c1-20-15-9-5-4-8-14(15)12-17-13-16(19)18-10-6-2-3-7-11-18/h4-5,8-9,17H,2-3,6-7,10-13H2,1H3
InChIKeyMPVORBQTTDWVSA-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

2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 28570278
1-(azepan-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000634
1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone
CID 60859816
2-amino-4-[(2-methoxyphenyl)methylamino]-1-piperidin-1-ylbutan-1-one
CID 85416870
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(2-methoxyphenyl)methyl]urea
CID 52810254
N-[(2-methoxyphenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517303
1-(2-ethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 108998329
2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 36866031
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 28575460
2-[(2-methoxyphenyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60688505
4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109047377

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone (CID 28570429) is 1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone is COc1ccccc1CNCC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone?
The InChIKey is MPVORBQTTDWVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-15-9-5-4-8-14(15)12-17-13-16(19)18-10-6-2-3-7-11-18/h4-5,8-9,17H,2-3,6-7,10-13H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone?
1-(azepan-1-yl)-2-[(2-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-[(2-methoxyphenyl)methylamino]ethanone is sourced from PubChem (CID 28570429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).