4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide

C24H25N3O3 — CID 9084001

IUPAC4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-16-4-13-22(17(2)14-16)27-23(28)15-25-19-7-5-18(6-8-19)24(29)26-20-9-11-21(30-3)12-10-20/h4-14,25H,15H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyJMZXMJHMPYQEPL-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.61
Rot. Bonds7

About 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide

4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 9084001) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID9084001
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-16-4-13-22(17(2)14-16)27-23(28)15-25-19-7-5-18(6-8-19)24(29)26-20-9-11-21(30-3)12-10-20/h4-14,25H,15H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyJMZXMJHMPYQEPL-UHFFFAOYSA-N
XLogP4.61
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 46755786
4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996
N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide
CID 109009113
N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)acetamide
CID 7636776
N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide
CID 37475742
4-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9083988
2-anilino-N-(4-methoxy-2-methylphenyl)acetamide
CID 62871353
2-N-(2,4-dimethylphenyl)-4-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109091767
N-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830530
N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
CID 54812332
N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide
CID 1068398
N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide
CID 7636771

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide (CID 9084001) is 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(NCC(=O)Nc3ccc(C)cc3C)cc2)cc1.
What is the InChIKey of 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is JMZXMJHMPYQEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16-4-13-22(17(2)14-16)27-23(28)15-25-19-7-5-18(6-8-19)24(29)26-20-9-11-21(30-3)12-10-20/h4-14,25H,15H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide?
4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 403.48 g/mol, XLogP of 4.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 9084001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).