3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride

C18H28ClN3O2 — CID 119684097

IUPAC3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)CN(C)C(=O)C2CCCC(N)C2)c1C.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-12-6-4-9-16(13(12)2)20-17(22)11-21(3)18(23)14-7-5-8-15(19)10-14;/h4,6,9,14-15H,5,7-8,10-11,19H2,1-3H3,(H,20,22);1H
InChIKeyNQAFPZVWKPNHMB-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.64
Rot. Bonds4

About 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride

3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119684097) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119684097
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)CN(C)C(=O)C2CCCC(N)C2)c1C.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-12-6-4-9-16(13(12)2)20-17(22)11-21(3)18(23)14-7-5-8-15(19)10-14;/h4,6,9,14-15H,5,7-8,10-11,19H2,1-3H3,(H,20,22);1H
InChIKeyNQAFPZVWKPNHMB-UHFFFAOYSA-N
XLogP2.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 98205725
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119732546
3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 62775426
2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119268362
N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 110883640
4-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119268380
3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 55146162
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 60911691
N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38510500
2-[cyclopentyl(methylsulfonyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 113148924
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
CID 7719861

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride (CID 119684097) is 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride is Cc1cccc(NC(=O)CN(C)C(=O)C2CCCC(N)C2)c1C.Cl.
What is the InChIKey of 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is NQAFPZVWKPNHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-12-6-4-9-16(13(12)2)20-17(22)11-21(3)18(23)14-7-5-8-15(19)10-14;/h4,6,9,14-15H,5,7-8,10-11,19H2,1-3H3,(H,20,22);1H.
What are the key properties of 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119684097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).