2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide

C30H28N2O2 — CID 23908248

IUPAC2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(-c2ccc(NC(=O)c3ccccc3C)cc2C)c(C)c1
InChIInChI=1S/C30H28N2O2/c1-19-9-5-7-11-27(19)29(33)31-23-13-15-25(21(3)17-23)26-16-14-24(18-22(26)4)32-30(34)28-12-8-6-10-20(28)2/h5-18H,1-4H3,(H,31,33)(H,32,34)
InChIKeyVFYNGNIDDODENR-UHFFFAOYSA-N
MW448.57 g/mol
LogP7.09
Rot. Bonds5

About 2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide

2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide (PubChem CID 23908248) has the molecular formula C30H28N2O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide
PubChem CID23908248
Molecular FormulaC30H28N2O2
Molecular Weight448.57 g/mol
Exact Mass448.22
IUPAC Name2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(-c2ccc(NC(=O)c3ccccc3C)cc2C)c(C)c1
InChIInChI=1S/C30H28N2O2/c1-19-9-5-7-11-27(19)29(33)31-23-13-15-25(21(3)17-23)26-16-14-24(18-22(26)4)32-30(34)28-12-8-6-10-20(28)2/h5-18H,1-4H3,(H,31,33)(H,32,34)
InChIKeyVFYNGNIDDODENR-UHFFFAOYSA-N
XLogP7.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-iodo-3,5-dimethylphenyl)-2-methylbenzamide
CID 17274184
N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide
CID 154278124
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide
CID 60804519
N-(3,4-dimethylphenyl)-2,3-dimethylbenzamide
CID 26593883
2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide
CID 112979818
N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzamide
CID 3536498
methyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 28638140
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate
CID 142567433
N-(3,4-diethoxyphenyl)-2-methylbenzamide
CID 26212680

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide?
The IUPAC name of 2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide (CID 23908248) is 2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(-c2ccc(NC(=O)c3ccccc3C)cc2C)c(C)c1.
What is the InChIKey of 2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide?
The InChIKey is VFYNGNIDDODENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2/c1-19-9-5-7-11-27(19)29(33)31-23-13-15-25(21(3)17-23)26-16-14-24(18-22(26)4)32-30(34)28-12-8-6-10-20(28)2/h5-18H,1-4H3,(H,31,33)(H,32,34).
What are the key properties of 2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide?
2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide has a molecular weight of 448.57 g/mol, XLogP of 7.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide is sourced from PubChem (CID 23908248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).