1-(azepan-1-yl)-2-(N-ethylanilino)ethanone

C16H24N2O — CID 54808944

IUPAC1-(azepan-1-yl)-2-(N-ethylanilino)ethanone
SMILESCCN(CC(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-17(15-10-6-5-7-11-15)14-16(19)18-12-8-3-4-9-13-18/h5-7,10-11H,2-4,8-9,12-14H2,1H3
InChIKeyVFRZVOJNFQENQB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.92
Rot. Bonds4

About 1-(azepan-1-yl)-2-(N-ethylanilino)ethanone

1-(azepan-1-yl)-2-(N-ethylanilino)ethanone (PubChem CID 54808944) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(N-ethylanilino)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(N-ethylanilino)ethanone
PubChem CID54808944
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(azepan-1-yl)-2-(N-ethylanilino)ethanone
SMILESCCN(CC(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-17(15-10-6-5-7-11-15)14-16(19)18-12-8-3-4-9-13-18/h5-7,10-11H,2-4,8-9,12-14H2,1H3
InChIKeyVFRZVOJNFQENQB-UHFFFAOYSA-N
XLogP2.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one
CID 109033514
1-(azepan-1-yl)-2-[N-(2-hydroxybutyl)anilino]ethanone
CID 110919057
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(N-ethylanilino)ethanone
CID 55437561
1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone
CID 108996199
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[4-(diethylamino)phenyl]methanesulfonamide
CID 113156241
N-[4-(diethylamino)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113156219
2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone
CID 86906131
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
ethyl 4-[2-(N-benzylanilino)acetyl]piperazine-1-carboxylate
CID 109003906
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(N-ethylanilino)ethanone
CID 55437560
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(N-ethylanilino)ethanone
CID 111456853

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(N-ethylanilino)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(N-ethylanilino)ethanone (CID 54808944) is 1-(azepan-1-yl)-2-(N-ethylanilino)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(N-ethylanilino)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(N-ethylanilino)ethanone is CCN(CC(=O)N1CCCCCC1)c1ccccc1.
What is the InChIKey of 1-(azepan-1-yl)-2-(N-ethylanilino)ethanone?
The InChIKey is VFRZVOJNFQENQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-17(15-10-6-5-7-11-15)14-16(19)18-12-8-3-4-9-13-18/h5-7,10-11H,2-4,8-9,12-14H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-(N-ethylanilino)ethanone?
1-(azepan-1-yl)-2-(N-ethylanilino)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.92, 4 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-(N-ethylanilino)ethanone is sourced from PubChem (CID 54808944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).