3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide

C24H24N2O4 — CID 46410283

IUPAC3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide
SMILESCOc1cccc(CNC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1OC
InChIInChI=1S/C24H24N2O4/c1-16-12-13-18(14-20(16)26-24(28)17-8-5-4-6-9-17)23(27)25-15-19-10-7-11-21(29-2)22(19)30-3/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyYWEXOWVDBFXTLZ-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.19
Rot. Bonds7

About 3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide

3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide (PubChem CID 46410283) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide
PubChem CID46410283
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide
SMILESCOc1cccc(CNC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1OC
InChIInChI=1S/C24H24N2O4/c1-16-12-13-18(14-20(16)26-24(28)17-8-5-4-6-9-17)23(27)25-15-19-10-7-11-21(29-2)22(19)30-3/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyYWEXOWVDBFXTLZ-UHFFFAOYSA-N
XLogP4.19
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054817
N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide
CID 22588087
N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
CID 23968860
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide
CID 154838760
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide
CID 60615050
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55583363
2-benzamido-N-[(2-methoxyphenyl)methyl]benzamide
CID 9404635
3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid
CID 769955
N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9246288
4-N-(2-chlorophenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 109047395

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide?
The IUPAC name of 3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide (CID 46410283) is 3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide is COc1cccc(CNC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1OC.
What is the InChIKey of 3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide?
The InChIKey is YWEXOWVDBFXTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-16-12-13-18(14-20(16)26-24(28)17-8-5-4-6-9-17)23(27)25-15-19-10-7-11-21(29-2)22(19)30-3/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide?
3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide has a molecular weight of 404.47 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 46410283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).