3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride

C16H25ClN2O2 — CID 119673157

IUPAC3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)C2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-20-15-7-5-12(6-8-15)9-10-18-16(19)13-3-2-4-14(17)11-13;/h5-8,13-14H,2-4,9-11,17H2,1H3,(H,18,19);1H
InChIKeyLMHYIHSENCMWPC-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.29
Rot. Bonds5

About 3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119673157) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119673157
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)C2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-20-15-7-5-12(6-8-15)9-10-18-16(19)13-3-2-4-14(17)11-13;/h5-8,13-14H,2-4,9-11,17H2,1H3,(H,18,19);1H
InChIKeyLMHYIHSENCMWPC-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-[(3-aminocyclohexanecarbonyl)amino]ethyl]benzoate;hydrochloride
CID 119701390
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119774829
N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide
CID 119755530
3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119741718
2-amino-N-[2-(4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64817742
N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752348
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
3-amino-N-[2-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 119760925
3-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119788200
3-amino-N-[2-(3,5-dichlorophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119752653
3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119805976
3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119786390

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride (CID 119673157) is 3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride is COc1ccc(CCNC(=O)C2CCCC(N)C2)cc1.Cl.
What is the InChIKey of 3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is LMHYIHSENCMWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-20-15-7-5-12(6-8-15)9-10-18-16(19)13-3-2-4-14(17)11-13;/h5-8,13-14H,2-4,9-11,17H2,1H3,(H,18,19);1H.
What are the key properties of 3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119673157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).