N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide

C20H24N2O2 — CID 119419715

IUPACN-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(c3ccccc3)CC2)cc1N
InChIInChI=1S/C20H24N2O2/c1-24-19-12-11-17(13-18(19)21)22-20(23)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,11-13,15-16H,7-10,21H2,1H3,(H,22,23)
InChIKeyPPYNDQKNRBWERN-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.19
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide

N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide (PubChem CID 119419715) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide
PubChem CID119419715
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(c3ccccc3)CC2)cc1N
InChIInChI=1S/C20H24N2O2/c1-24-19-12-11-17(13-18(19)21)22-20(23)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,11-13,15-16H,7-10,21H2,1H3,(H,22,23)
InChIKeyPPYNDQKNRBWERN-UHFFFAOYSA-N
XLogP4.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 65023208
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CID 119419829
N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide
CID 119420188
N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119420224
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CID 119420166
(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
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N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide
CID 112521544
4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928597
N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide
CID 62215161
N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43599815
N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride
CID 119420472

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide (CID 119419715) is N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide is COc1ccc(NC(=O)C2CCC(c3ccccc3)CC2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide?
The InChIKey is PPYNDQKNRBWERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-19-12-11-17(13-18(19)21)22-20(23)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,11-13,15-16H,7-10,21H2,1H3,(H,22,23).
What are the key properties of N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide?
N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 119419715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).