N-(4-methylphenyl)-4-[4-(4-pentan-2-ylcyclohexyl)phenyl]benzamide

C31H37NO — CID 67989976

IUPACN-(4-methylphenyl)-4-[4-(4-pentan-2-ylcyclohexyl)phenyl]benzamide
SMILESCCCC(C)C1CCC(c2ccc(-c3ccc(C(=O)Nc4ccc(C)cc4)cc3)cc2)CC1
InChIInChI=1S/C31H37NO/c1-4-5-23(3)24-8-10-25(11-9-24)26-12-14-27(15-13-26)28-16-18-29(19-17-28)31(33)32-30-20-6-22(2)7-21-30/h6-7,12-21,23-25H,4-5,8-11H2,1-3H3,(H,32,33)
InChIKeyYMMFBXSSMSNHFY-UHFFFAOYSA-N
MW439.64 g/mol
LogP8.62
Rot. Bonds7

About N-(4-methylphenyl)-4-[4-(4-pentan-2-ylcyclohexyl)phenyl]benzamide

N-(4-methylphenyl)-4-[4-(4-pentan-2-ylcyclohexyl)phenyl]benzamide (PubChem CID 67989976) has the molecular formula C31H37NO and a molecular weight of 439.64 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[4-(4-pentan-2-ylcyclohexyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[4-(4-pentan-2-ylcyclohexyl)phenyl]benzamide
PubChem CID67989976
Molecular FormulaC31H37NO
Molecular Weight439.64 g/mol
Exact Mass439.29
IUPAC NameN-(4-methylphenyl)-4-[4-(4-pentan-2-ylcyclohexyl)phenyl]benzamide
SMILESCCCC(C)C1CCC(c2ccc(-c3ccc(C(=O)Nc4ccc(C)cc4)cc3)cc2)CC1
InChIInChI=1S/C31H37NO/c1-4-5-23(3)24-8-10-25(11-9-24)26-12-14-27(15-13-26)28-16-18-29(19-17-28)31(33)32-30-20-6-22(2)7-21-30/h6-7,12-21,23-25H,4-5,8-11H2,1-3H3,(H,32,33)
InChIKeyYMMFBXSSMSNHFY-UHFFFAOYSA-N
XLogP8.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.64
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide
CID 138461387
N-(4-cyclopropylphenyl)-4-phenylbenzamide
CID 123874228
4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 124566433
(2R)-N-(4-chlorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]propanamide
CID 158787869
N-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide
CID 90397286
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
N-[4-(cyclopentylamino)phenyl]-4-methylbenzamide
CID 112980589
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[4-(4-pentan-2-ylcyclohexyl)phenyl]benzamide?
The IUPAC name of N-(4-methylphenyl)-4-[4-(4-pentan-2-ylcyclohexyl)phenyl]benzamide (CID 67989976) is N-(4-methylphenyl)-4-[4-(4-pentan-2-ylcyclohexyl)phenyl]benzamide.
What is the SMILES notation for N-(4-methylphenyl)-4-[4-(4-pentan-2-ylcyclohexyl)phenyl]benzamide?
The canonical SMILES for N-(4-methylphenyl)-4-[4-(4-pentan-2-ylcyclohexyl)phenyl]benzamide is CCCC(C)C1CCC(c2ccc(-c3ccc(C(=O)Nc4ccc(C)cc4)cc3)cc2)CC1.
What is the InChIKey of N-(4-methylphenyl)-4-[4-(4-pentan-2-ylcyclohexyl)phenyl]benzamide?
The InChIKey is YMMFBXSSMSNHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37NO/c1-4-5-23(3)24-8-10-25(11-9-24)26-12-14-27(15-13-26)28-16-18-29(19-17-28)31(33)32-30-20-6-22(2)7-21-30/h6-7,12-21,23-25H,4-5,8-11H2,1-3H3,(H,32,33).
What are the key properties of N-(4-methylphenyl)-4-[4-(4-pentan-2-ylcyclohexyl)phenyl]benzamide?
N-(4-methylphenyl)-4-[4-(4-pentan-2-ylcyclohexyl)phenyl]benzamide has a molecular weight of 439.64 g/mol, XLogP of 8.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[4-(4-pentan-2-ylcyclohexyl)phenyl]benzamide is sourced from PubChem (CID 67989976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).