1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one

C17H26N2O — CID 109033514

IUPAC1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one
SMILESCCN(CCC(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-18(16-10-6-5-7-11-16)15-12-17(20)19-13-8-3-4-9-14-19/h5-7,10-11H,2-4,8-9,12-15H2,1H3
InChIKeyRLBVJAYASFBAMN-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.31
Rot. Bonds5

About 1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one

1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one (PubChem CID 109033514) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one
PubChem CID109033514
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one
SMILESCCN(CCC(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-18(16-10-6-5-7-11-16)15-12-17(20)19-13-8-3-4-9-14-19/h5-7,10-11H,2-4,8-9,12-15H2,1H3
InChIKeyRLBVJAYASFBAMN-UHFFFAOYSA-N
XLogP3.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-2-(N-ethylanilino)ethanone
CID 54808944
3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030084
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylacetamide
CID 113123338
4-[3-(N-ethyl-3-methylanilino)propanoyl]piperazine-1-carbaldehyde
CID 109017934
N-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide
CID 10733166
1-(azepan-1-yl)-2-[N-(2-hydroxybutyl)anilino]ethanone
CID 110919057
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
3-(N-benzylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032883
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111389814
3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 162750091
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712509

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one (CID 109033514) is 1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one is CCN(CCC(=O)N1CCCCCC1)c1ccccc1.
What is the InChIKey of 1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one?
The InChIKey is RLBVJAYASFBAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-18(16-10-6-5-7-11-16)15-12-17(20)19-13-8-3-4-9-14-19/h5-7,10-11H,2-4,8-9,12-15H2,1H3.
What are the key properties of 1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one?
1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one is sourced from PubChem (CID 109033514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).