3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide

C29H31N3O3 — CID 55878666

IUPAC3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C29H31N3O3/c1-19-13-14-23(18-26(19)32-27(33)21-9-5-3-6-10-21)29(35)31-25-16-15-22(17-20(25)2)28(34)30-24-11-7-4-8-12-24/h3,5-6,9-10,13-18,24H,4,7-8,11-12H2,1-2H3,(H,30,34)(H,31,35)(H,32,33)
InChIKeyOOWZONMNVBQOSC-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.87
Rot. Bonds6

About 3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide

3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide (PubChem CID 55878666) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
PubChem CID55878666
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C29H31N3O3/c1-19-13-14-23(18-26(19)32-27(33)21-9-5-3-6-10-21)29(35)31-25-16-15-22(17-20(25)2)28(34)30-24-11-7-4-8-12-24/h3,5-6,9-10,13-18,24H,4,7-8,11-12H2,1-2H3,(H,30,34)(H,31,35)(H,32,33)
InChIKeyOOWZONMNVBQOSC-UHFFFAOYSA-N
XLogP5.87
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
CID 55880187
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676239
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide
CID 19062588
3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide
CID 19062561
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide
CID 112846041
N-cyclohexyl-4-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbenzamide
CID 55879424
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide
CID 55992962
2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089442

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide?
The IUPAC name of 3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide (CID 55878666) is 3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide.
What is the SMILES notation for 3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide?
The canonical SMILES for 3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide is Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide?
The InChIKey is OOWZONMNVBQOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-19-13-14-23(18-26(19)32-27(33)21-9-5-3-6-10-21)29(35)31-25-16-15-22(17-20(25)2)28(34)30-24-11-7-4-8-12-24/h3,5-6,9-10,13-18,24H,4,7-8,11-12H2,1-2H3,(H,30,34)(H,31,35)(H,32,33).
What are the key properties of 3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide?
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide has a molecular weight of 469.59 g/mol, XLogP of 5.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide is sourced from PubChem (CID 55878666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).