2-methyl-4-(2-methylphenyl)-N-[2-(2,4,5-trimethylphenyl)cyclopentyl]benzamide

C29H33NO — CID 21366688

IUPAC2-methyl-4-(2-methylphenyl)-N-[2-(2,4,5-trimethylphenyl)cyclopentyl]benzamide
SMILESCc1cc(C)c(C2CCCC2NC(=O)c2ccc(-c3ccccc3C)cc2C)cc1C
InChIInChI=1S/C29H33NO/c1-18-9-6-7-10-24(18)23-13-14-25(22(5)16-23)29(31)30-28-12-8-11-26(28)27-17-20(3)19(2)15-21(27)4/h6-7,9-10,13-17,26,28H,8,11-12H2,1-5H3,(H,30,31)
InChIKeySUGVKGNHLJCJFN-UHFFFAOYSA-N
MW411.59 g/mol
LogP6.96
Rot. Bonds4

About 2-methyl-4-(2-methylphenyl)-N-[2-(2,4,5-trimethylphenyl)cyclopentyl]benzamide

2-methyl-4-(2-methylphenyl)-N-[2-(2,4,5-trimethylphenyl)cyclopentyl]benzamide (PubChem CID 21366688) has the molecular formula C29H33NO and a molecular weight of 411.59 g/mol. Its IUPAC name is 2-methyl-4-(2-methylphenyl)-N-[2-(2,4,5-trimethylphenyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name2-methyl-4-(2-methylphenyl)-N-[2-(2,4,5-trimethylphenyl)cyclopentyl]benzamide
PubChem CID21366688
Molecular FormulaC29H33NO
Molecular Weight411.59 g/mol
Exact Mass411.26
IUPAC Name2-methyl-4-(2-methylphenyl)-N-[2-(2,4,5-trimethylphenyl)cyclopentyl]benzamide
SMILESCc1cc(C)c(C2CCCC2NC(=O)c2ccc(-c3ccccc3C)cc2C)cc1C
InChIInChI=1S/C29H33NO/c1-18-9-6-7-10-24(18)23-13-14-25(22(5)16-23)29(31)30-28-12-8-11-26(28)27-17-20(3)19(2)15-21(27)4/h6-7,9-10,13-17,26,28H,8,11-12H2,1-5H3,(H,30,31)
InChIKeySUGVKGNHLJCJFN-UHFFFAOYSA-N
XLogP6.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
2-methyl-4-(methylamino)-N-(2-methylcyclopentyl)benzamide
CID 113400211
2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide
CID 144740074
N-benzyl-2-fluoro-5-[2-[(2-fluoro-4-methylbenzoyl)amino]cyclohexyl]-4-methylbenzamide
CID 123704506
N-[(1R,2S)-2-[[2-(2,5-dimethylpyrrol-1-yl)acetyl]amino]cyclopentyl]-2-methylbenzamide
CID 166373121
N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide
CID 95983826
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-(2,3-dimethylcyclohexyl)-4-hydroxy-2-methylbenzamide
CID 103863506
N-(2-aminocyclopropyl)-2-methylbenzamide
CID 43593725
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide
CID 91404239
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylphenyl)-N-[2-(2,4,5-trimethylphenyl)cyclopentyl]benzamide?
The IUPAC name of 2-methyl-4-(2-methylphenyl)-N-[2-(2,4,5-trimethylphenyl)cyclopentyl]benzamide (CID 21366688) is 2-methyl-4-(2-methylphenyl)-N-[2-(2,4,5-trimethylphenyl)cyclopentyl]benzamide.
What is the SMILES notation for 2-methyl-4-(2-methylphenyl)-N-[2-(2,4,5-trimethylphenyl)cyclopentyl]benzamide?
The canonical SMILES for 2-methyl-4-(2-methylphenyl)-N-[2-(2,4,5-trimethylphenyl)cyclopentyl]benzamide is Cc1cc(C)c(C2CCCC2NC(=O)c2ccc(-c3ccccc3C)cc2C)cc1C.
What is the InChIKey of 2-methyl-4-(2-methylphenyl)-N-[2-(2,4,5-trimethylphenyl)cyclopentyl]benzamide?
The InChIKey is SUGVKGNHLJCJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO/c1-18-9-6-7-10-24(18)23-13-14-25(22(5)16-23)29(31)30-28-12-8-11-26(28)27-17-20(3)19(2)15-21(27)4/h6-7,9-10,13-17,26,28H,8,11-12H2,1-5H3,(H,30,31).
What are the key properties of 2-methyl-4-(2-methylphenyl)-N-[2-(2,4,5-trimethylphenyl)cyclopentyl]benzamide?
2-methyl-4-(2-methylphenyl)-N-[2-(2,4,5-trimethylphenyl)cyclopentyl]benzamide has a molecular weight of 411.59 g/mol, XLogP of 6.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylphenyl)-N-[2-(2,4,5-trimethylphenyl)cyclopentyl]benzamide is sourced from PubChem (CID 21366688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).