1-(azepan-1-yl)-2-(2-methoxyphenyl)ethanone

C15H21NO2 — CID 869473

IUPAC1-(azepan-1-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCCCCC1
InChIInChI=1S/C15H21NO2/c1-18-14-9-5-4-8-13(14)12-15(17)16-10-6-2-3-7-11-16/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKeyUIYYJIRBQPKSDY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds3

About 1-(azepan-1-yl)-2-(2-methoxyphenyl)ethanone

1-(azepan-1-yl)-2-(2-methoxyphenyl)ethanone (PubChem CID 869473) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(2-methoxyphenyl)ethanone
PubChem CID869473
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(azepan-1-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCCCCC1
InChIInChI=1S/C15H21NO2/c1-18-14-9-5-4-8-13(14)12-15(17)16-10-6-2-3-7-11-16/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKeyUIYYJIRBQPKSDY-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(2-methoxyphenyl)ethanone (CID 869473) is 1-(azepan-1-yl)-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(2-methoxyphenyl)ethanone?
The InChIKey is UIYYJIRBQPKSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-14-9-5-4-8-13(14)12-15(17)16-10-6-2-3-7-11-16/h4-5,8-9H,2-3,6-7,10-12H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-(2-methoxyphenyl)ethanone?
1-(azepan-1-yl)-2-(2-methoxyphenyl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 869473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).