N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide

C20H24N2O — CID 110178754

IUPACN-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(Nc3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O/c1-15-7-9-16(10-8-15)20(23)22-19-13-11-18(12-14-19)21-17-5-3-2-4-6-17/h2-6,11-16,21H,7-10H2,1H3,(H,22,23)
InChIKeyFBNZWEKHJDPKDP-UHFFFAOYSA-N
MW308.43 g/mol
LogP5.20
Rot. Bonds4

About N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide

N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 110178754) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide
PubChem CID110178754
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(Nc3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O/c1-15-7-9-16(10-8-15)20(23)22-19-13-11-18(12-14-19)21-17-5-3-2-4-6-17/h2-6,11-16,21H,7-10H2,1H3,(H,22,23)
InChIKeyFBNZWEKHJDPKDP-UHFFFAOYSA-N
XLogP5.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.43
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-phenylcyclobutane-1-carboxamide
CID 121011883
N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 28660300
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide
CID 112985938
4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 775974
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
N-(3-hydroxyphenyl)-4-methylcyclohexane-1-carboxamide
CID 113287962
N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide
CID 4942014
(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide
CID 51927414
cis-(1S,2R)-2-[(4-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 696808
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
4-(cyclopropanecarbonylamino)-N-(4-methylcyclohexyl)benzamide
CID 39031356

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide (CID 110178754) is N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)Nc2ccc(Nc3ccccc3)cc2)CC1.
What is the InChIKey of N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is FBNZWEKHJDPKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-7-9-16(10-8-15)20(23)22-19-13-11-18(12-14-19)21-17-5-3-2-4-6-17/h2-6,11-16,21H,7-10H2,1H3,(H,22,23).
What are the key properties of N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide?
N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 110178754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).