1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone

C19H24N2O — CID 60572838

IUPAC1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone
SMILESCN(CC(=O)N1CCCCCC1)c1cccc2ccccc12
InChIInChI=1S/C19H24N2O/c1-20(15-19(22)21-13-6-2-3-7-14-21)18-12-8-10-16-9-4-5-11-17(16)18/h4-5,8-12H,2-3,6-7,13-15H2,1H3
InChIKeyNAOFZMXVOUSNGG-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.68
Rot. Bonds3

About 1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone

1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone (PubChem CID 60572838) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone
PubChem CID60572838
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone
SMILESCN(CC(=O)N1CCCCCC1)c1cccc2ccccc12
InChIInChI=1S/C19H24N2O/c1-20(15-19(22)21-13-6-2-3-7-14-21)18-12-8-10-16-9-4-5-11-17(16)18/h4-5,8-12H,2-3,6-7,13-15H2,1H3
InChIKeyNAOFZMXVOUSNGG-UHFFFAOYSA-N
XLogP3.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438205
2-(N-methyl-2-phenoxyanilino)-1-piperidin-1-ylethanone
CID 56549650
2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 78790285
2-[2-(aminomethyl)-3-chloro-N-methylanilino]-1-pyrrolidin-1-ylethanone
CID 61441999
2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone
CID 61442295
2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438533
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
N,N-diethyl-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60570383
2-[4-(aminomethyl)-N-methylanilino]-1-(azepan-1-yl)ethanone
CID 43275613
1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid
CID 62657444
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide
CID 113171182
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide
CID 113169098

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone (CID 60572838) is 1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone is CN(CC(=O)N1CCCCCC1)c1cccc2ccccc12.
What is the InChIKey of 1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone?
The InChIKey is NAOFZMXVOUSNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-20(15-19(22)21-13-6-2-3-7-14-21)18-12-8-10-16-9-4-5-11-17(16)18/h4-5,8-12H,2-3,6-7,13-15H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone?
1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone has a molecular weight of 296.41 g/mol, XLogP of 3.68, 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-[methyl(naphthalen-1-yl)amino]ethanone is sourced from PubChem (CID 60572838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).