3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride

C16H25ClN2O — CID 119705842

IUPAC3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCN(C(=O)C1CCCC(N)C1)c1cccc(C)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-3-18(15-9-4-6-12(2)10-15)16(19)13-7-5-8-14(17)11-13;/h4,6,9-10,13-14H,3,5,7-8,11,17H2,1-2H3;1H
InChIKeyOYSAWXCVYPTSEF-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.29
Rot. Bonds3

About 3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119705842) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119705842
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCN(C(=O)C1CCCC(N)C1)c1cccc(C)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-3-18(15-9-4-6-12(2)10-15)16(19)13-7-5-8-14(17)11-13;/h4,6,9-10,13-14H,3,5,7-8,11,17H2,1-2H3;1H
InChIKeyOYSAWXCVYPTSEF-UHFFFAOYSA-N
XLogP3.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796
3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 63046107
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide
CID 110865038
4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144641
1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145572
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-ethyl-3-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 102778923
N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
CID 28766909
4-amino-N-ethyl-N-(3-methylphenyl)oxolane-3-carboxamide
CID 66236049
4-N-ethyl-4-N-(3-methylphenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150509
1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17224500

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119705842) is 3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride is CCN(C(=O)C1CCCC(N)C1)c1cccc(C)c1.Cl.
What is the InChIKey of 3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is OYSAWXCVYPTSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-3-18(15-9-4-6-12(2)10-15)16(19)13-7-5-8-14(17)11-13;/h4,6,9-10,13-14H,3,5,7-8,11,17H2,1-2H3;1H.
What are the key properties of 3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119705842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).