3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide

C29H25N3O4 — CID 55630453

IUPAC3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C29H25N3O4/c1-19-15-16-21(17-26(19)32-27(33)20-9-4-3-5-10-20)28(34)31-25-14-7-6-13-24(25)29(35)30-22-11-8-12-23(18-22)36-2/h3-18H,1-2H3,(H,30,35)(H,31,34)(H,32,33)
InChIKeyJCMLVSIZBXAATE-UHFFFAOYSA-N
MW479.54 g/mol
LogP5.76
Rot. Bonds7

About 3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide

3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide (PubChem CID 55630453) has the molecular formula C29H25N3O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is 3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide
PubChem CID55630453
Molecular FormulaC29H25N3O4
Molecular Weight479.54 g/mol
Exact Mass479.18
IUPAC Name3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C29H25N3O4/c1-19-15-16-21(17-26(19)32-27(33)20-9-4-3-5-10-20)28(34)31-25-14-7-6-13-24(25)29(35)30-22-11-8-12-23(18-22)36-2/h3-18H,1-2H3,(H,30,35)(H,31,34)(H,32,33)
InChIKeyJCMLVSIZBXAATE-UHFFFAOYSA-N
XLogP5.76
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
N-(4-fluorophenyl)-2-[(3-methoxybenzoyl)amino]benzamide
CID 1228531
N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 3548121
N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide
CID 55754649
N-(4-benzamido-3-methylphenyl)-3-methoxybenzamide
CID 1365764
2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide
CID 154838760
3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide
CID 17226566
2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 112767345
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3641947
2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17341336
1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 4945134

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide?
The IUPAC name of 3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide (CID 55630453) is 3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide?
The canonical SMILES for 3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide is COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1.
What is the InChIKey of 3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide?
The InChIKey is JCMLVSIZBXAATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O4/c1-19-15-16-21(17-26(19)32-27(33)20-9-4-3-5-10-20)28(34)31-25-14-7-6-13-24(25)29(35)30-22-11-8-12-23(18-22)36-2/h3-18H,1-2H3,(H,30,35)(H,31,34)(H,32,33).
What are the key properties of 3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide?
3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide has a molecular weight of 479.54 g/mol, XLogP of 5.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 55630453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).