N-[2-[methyl-[2-[4-[[methyl-(2-methylphenyl)carbamoyl]amino]phenyl]acetyl]amino]phenyl]benzamide

C31H30N4O3 — CID 56973876

IUPACN-[2-[methyl-[2-[4-[[methyl-(2-methylphenyl)carbamoyl]amino]phenyl]acetyl]amino]phenyl]benzamide
SMILESCc1ccccc1N(C)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C31H30N4O3/c1-22-11-7-9-15-27(22)35(3)31(38)32-25-19-17-23(18-20-25)21-29(36)34(2)28-16-10-8-14-26(28)33-30(37)24-12-5-4-6-13-24/h4-20H,21H2,1-3H3,(H,32,38)(H,33,37)
InChIKeyJMPSIWVIVCTTEY-UHFFFAOYSA-N
MW506.61 g/mol
LogP6.12
Rot. Bonds7

About N-[2-[methyl-[2-[4-[[methyl-(2-methylphenyl)carbamoyl]amino]phenyl]acetyl]amino]phenyl]benzamide

N-[2-[methyl-[2-[4-[[methyl-(2-methylphenyl)carbamoyl]amino]phenyl]acetyl]amino]phenyl]benzamide (PubChem CID 56973876) has the molecular formula C31H30N4O3 and a molecular weight of 506.61 g/mol. Its IUPAC name is N-[2-[methyl-[2-[4-[[methyl-(2-methylphenyl)carbamoyl]amino]phenyl]acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[methyl-[2-[4-[[methyl-(2-methylphenyl)carbamoyl]amino]phenyl]acetyl]amino]phenyl]benzamide
PubChem CID56973876
Molecular FormulaC31H30N4O3
Molecular Weight506.61 g/mol
Exact Mass506.23
IUPAC NameN-[2-[methyl-[2-[4-[[methyl-(2-methylphenyl)carbamoyl]amino]phenyl]acetyl]amino]phenyl]benzamide
SMILESCc1ccccc1N(C)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C31H30N4O3/c1-22-11-7-9-15-27(22)35(3)31(38)32-25-19-17-23(18-20-25)21-29(36)34(2)28-16-10-8-14-26(28)33-30(37)24-12-5-4-6-13-24/h4-20H,21H2,1-3H3,(H,32,38)(H,33,37)
InChIKeyJMPSIWVIVCTTEY-UHFFFAOYSA-N
XLogP6.12
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-4-[3-[methyl-[2-[4-[[methyl-(2-methylphenyl)carbamoyl]amino]phenyl]acetyl]amino]phenyl]butanoic acid
CID 22994263
1-acetyl-4-[4-[methyl-[2-[4-[[methyl-(2-methylphenyl)carbamoyl]amino]phenyl]acetyl]amino]phenyl]pyrrolidine-3-carboxylic acid
CID 18551113
2-(4-cyanophenyl)-N-methyl-N-(2-methylphenyl)acetamide
CID 63613721
(4-benzamidophenyl)carbamic acid
CID 18543096
N-(4-ethylphenyl)benzamide
CID 774063
N-(2-ethylphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119447
4-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760608
N-[4-[(N-methylanilino)methyl]phenyl]benzamide
CID 170063802
4-(2-ethylbutanoylamino)-N-(2-methylphenyl)benzamide
CID 17309184
3-(4-ethylphenyl)-1-methyl-1-phenylurea
CID 108991136
2-(dimethylamino)-N-methyl-N-(2-methylphenyl)acetamide
CID 21343400
4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683129

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[2-[4-[[methyl-(2-methylphenyl)carbamoyl]amino]phenyl]acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[2-[methyl-[2-[4-[[methyl-(2-methylphenyl)carbamoyl]amino]phenyl]acetyl]amino]phenyl]benzamide (CID 56973876) is N-[2-[methyl-[2-[4-[[methyl-(2-methylphenyl)carbamoyl]amino]phenyl]acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2-[methyl-[2-[4-[[methyl-(2-methylphenyl)carbamoyl]amino]phenyl]acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2-[methyl-[2-[4-[[methyl-(2-methylphenyl)carbamoyl]amino]phenyl]acetyl]amino]phenyl]benzamide is Cc1ccccc1N(C)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[methyl-[2-[4-[[methyl-(2-methylphenyl)carbamoyl]amino]phenyl]acetyl]amino]phenyl]benzamide?
The InChIKey is JMPSIWVIVCTTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O3/c1-22-11-7-9-15-27(22)35(3)31(38)32-25-19-17-23(18-20-25)21-29(36)34(2)28-16-10-8-14-26(28)33-30(37)24-12-5-4-6-13-24/h4-20H,21H2,1-3H3,(H,32,38)(H,33,37).
What are the key properties of N-[2-[methyl-[2-[4-[[methyl-(2-methylphenyl)carbamoyl]amino]phenyl]acetyl]amino]phenyl]benzamide?
N-[2-[methyl-[2-[4-[[methyl-(2-methylphenyl)carbamoyl]amino]phenyl]acetyl]amino]phenyl]benzamide has a molecular weight of 506.61 g/mol, XLogP of 6.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[2-[4-[[methyl-(2-methylphenyl)carbamoyl]amino]phenyl]acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 56973876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).