N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide

C20H24N2O2 — CID 112987504

IUPACN-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
SMILESCOc1ccc(Nc2ccc(NC(=O)C3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-24-19-13-11-17(12-14-19)21-16-7-9-18(10-8-16)22-20(23)15-5-3-2-4-6-15/h7-15,21H,2-6H2,1H3,(H,22,23)
InChIKeyAXXGISUTWHLEBE-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.96
Rot. Bonds5

About N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide

N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide (PubChem CID 112987504) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
PubChem CID112987504
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
SMILESCOc1ccc(Nc2ccc(NC(=O)C3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-24-19-13-11-17(12-14-19)21-16-7-9-18(10-8-16)22-20(23)15-5-3-2-4-6-15/h7-15,21H,2-6H2,1H3,(H,22,23)
InChIKeyAXXGISUTWHLEBE-UHFFFAOYSA-N
XLogP4.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
1-N-cyclopentyl-4-N-(4-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109145869
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 2649885
N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide
CID 4924408
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide
CID 112988197
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 129215411
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
N-(3,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 4812784
N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide
CID 112989494

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide (CID 112987504) is N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide is COc1ccc(Nc2ccc(NC(=O)C3CCCCC3)cc2)cc1.
What is the InChIKey of N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide?
The InChIKey is AXXGISUTWHLEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-19-13-11-17(12-14-19)21-16-7-9-18(10-8-16)22-20(23)15-5-3-2-4-6-15/h7-15,21H,2-6H2,1H3,(H,22,23).
What are the key properties of N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide?
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 112987504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).