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

C29H26N2O2 — CID 2330632

IUPAC4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H26N2O2/c1-20-3-11-24(12-4-20)28(32)30-26-15-7-22(8-16-26)19-23-9-17-27(18-10-23)31-29(33)25-13-5-21(2)6-14-25/h3-18H,19H2,1-2H3,(H,30,32)(H,31,33)
InChIKeyITGAOYVHJJWMFO-UHFFFAOYSA-N
MW434.54 g/mol
LogP6.40
Rot. Bonds6

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

4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide (PubChem CID 2330632) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
PubChem CID2330632
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC Name4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H26N2O2/c1-20-3-11-24(12-4-20)28(32)30-26-15-7-22(8-16-26)19-23-9-17-27(18-10-23)31-29(33)25-13-5-21(2)6-14-25/h3-18H,19H2,1-2H3,(H,30,32)(H,31,33)
InChIKeyITGAOYVHJJWMFO-UHFFFAOYSA-N
XLogP6.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide
CID 100591745
4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 43980966
2-(methylcarbamoyl)-4-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid
CID 90076016
2-(methylcarbamoyl)-5-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid
CID 20713242
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide (CID 2330632) is 4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide?
The InChIKey is ITGAOYVHJJWMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2/c1-20-3-11-24(12-4-20)28(32)30-26-15-7-22(8-16-26)19-23-9-17-27(18-10-23)31-29(33)25-13-5-21(2)6-14-25/h3-18H,19H2,1-2H3,(H,30,32)(H,31,33).
What are the key properties of 4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide?
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide has a molecular weight of 434.54 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide is sourced from PubChem (CID 2330632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).