2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride

C16H25ClN2O — CID 119794892

IUPAC2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride
SMILESCCC1CCCN(C(=O)CNc2ccccc2)CC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-2-14-7-6-11-18(12-10-14)16(19)13-17-15-8-4-3-5-9-15;/h3-5,8-9,14,17H,2,6-7,10-13H2,1H3;1H
InChIKeyXFTGGBQYYYBVAV-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.56
Rot. Bonds4

About 2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride

2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride (PubChem CID 119794892) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride
PubChem CID119794892
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride
SMILESCCC1CCCN(C(=O)CNc2ccccc2)CC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-2-14-7-6-11-18(12-10-14)16(19)13-17-15-8-4-3-5-9-15;/h3-5,8-9,14,17H,2,6-7,10-13H2,1H3;1H
InChIKeyXFTGGBQYYYBVAV-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 103812443
2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride
CID 119811969
2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119703042
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78992664
2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119842954
2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119734687
(2S)-2-amino-1-(4-ethylazepan-1-yl)-3-phenylpropan-1-one
CID 78992748
methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
CID 61042223
2-anilino-1-(4-ethylcyclohexyl)ethanone
CID 116555398
2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride
CID 119768979
3-(4-ethylazepan-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821966

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride (CID 119794892) is 2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride is CCC1CCCN(C(=O)CNc2ccccc2)CC1.Cl.
What is the InChIKey of 2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride?
The InChIKey is XFTGGBQYYYBVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-2-14-7-6-11-18(12-10-14)16(19)13-17-15-8-4-3-5-9-15;/h3-5,8-9,14,17H,2,6-7,10-13H2,1H3;1H.
What are the key properties of 2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride?
2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119794892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).