1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide

C15H22N2O3 — CID 64550233

IUPAC1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N)CCCC(C)C2)cc1O
InChIInChI=1S/C15H22N2O3/c1-10-4-3-7-15(16,9-10)14(19)17-11-5-6-13(20-2)12(18)8-11/h5-6,8,10,18H,3-4,7,9,16H2,1-2H3,(H,17,19)
InChIKeyKVBHRCHNCAUARD-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.25
Rot. Bonds3

About 1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide

1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 64550233) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
PubChem CID64550233
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N)CCCC(C)C2)cc1O
InChIInChI=1S/C15H22N2O3/c1-10-4-3-7-15(16,9-10)14(19)17-11-5-6-13(20-2)12(18)8-11/h5-6,8,10,18H,3-4,7,9,16H2,1-2H3,(H,17,19)
InChIKeyKVBHRCHNCAUARD-UHFFFAOYSA-N
XLogP2.25
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 64550833
1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 64548793
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide
CID 64551233
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid
CID 64555277
1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide
CID 64550871
1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 64551670
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
trans-(1S,3R)-N-(3-chloro-4-methoxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707553
1-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclohexane-1-carboxamide
CID 64549223
1-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 103808128
1-amino-3-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 64549838
1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide
CID 64555084

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide (CID 64550233) is 1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide is COc1ccc(NC(=O)C2(N)CCCC(C)C2)cc1O.
What is the InChIKey of 1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is KVBHRCHNCAUARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-4-3-7-15(16,9-10)14(19)17-11-5-6-13(20-2)12(18)8-11/h5-6,8,10,18H,3-4,7,9,16H2,1-2H3,(H,17,19).
What are the key properties of 1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide?
1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 64550233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).