N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide

C32H32N2O2 — CID 3343453

IUPACN-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4cc(C)cc(C)c4)c(C)c3)cc2C)c1
InChIInChI=1S/C32H32N2O2/c1-19-11-20(2)14-27(13-19)31(35)33-29-9-7-25(17-23(29)5)26-8-10-30(24(6)18-26)34-32(36)28-15-21(3)12-22(4)16-28/h7-18H,1-6H3,(H,33,35)(H,34,36)
InChIKeyVDCMCUYXVGBTLW-UHFFFAOYSA-N
MW476.62 g/mol
LogP7.71
Rot. Bonds5

About N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide

N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide (PubChem CID 3343453) has the molecular formula C32H32N2O2 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide
PubChem CID3343453
Molecular FormulaC32H32N2O2
Molecular Weight476.62 g/mol
Exact Mass476.25
IUPAC NameN-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4cc(C)cc(C)c4)c(C)c3)cc2C)c1
InChIInChI=1S/C32H32N2O2/c1-19-11-20(2)14-27(13-19)31(35)33-29-9-7-25(17-23(29)5)26-8-10-30(24(6)18-26)34-32(36)28-15-21(3)12-22(4)16-28/h7-18H,1-6H3,(H,33,35)(H,34,36)
InChIKeyVDCMCUYXVGBTLW-UHFFFAOYSA-N
XLogP7.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 57.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide
CID 4537878
N-[4-[4-[(3,5-dinitrobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dinitrobenzamide
CID 3882039
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide
CID 43980967
3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4586964
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide
CID 113460644
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
N-(2-iodophenyl)-3,5-dimethylbenzamide
CID 2118558
4-butoxy-N-[4-[4-[(4-butoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4190773

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide (CID 3343453) is N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4cc(C)cc(C)c4)c(C)c3)cc2C)c1.
What is the InChIKey of N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide?
The InChIKey is VDCMCUYXVGBTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O2/c1-19-11-20(2)14-27(13-19)31(35)33-29-9-7-25(17-23(29)5)26-8-10-30(24(6)18-26)34-32(36)28-15-21(3)12-22(4)16-28/h7-18H,1-6H3,(H,33,35)(H,34,36).
What are the key properties of N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide?
N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide has a molecular weight of 476.62 g/mol, XLogP of 7.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 3343453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).