2-[(4-methoxybenzoyl)amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide

C25H25N3O4 — CID 38008073

IUPAC2-[(4-methoxybenzoyl)amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C25H25N3O4/c1-17-8-12-19(13-9-17)26-23(29)16-28(2)25(31)21-6-4-5-7-22(21)27-24(30)18-10-14-20(32-3)15-11-18/h4-15H,16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyHDHFJIUBUATFAR-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.97
Rot. Bonds7

About 2-[(4-methoxybenzoyl)amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide

2-[(4-methoxybenzoyl)amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide (PubChem CID 38008073) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
PubChem CID38008073
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C25H25N3O4/c1-17-8-12-19(13-9-17)26-23(29)16-28(2)25(31)21-6-4-5-7-22(21)27-24(30)18-10-14-20(32-3)15-11-18/h4-15H,16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyHDHFJIUBUATFAR-UHFFFAOYSA-N
XLogP3.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 39122596
2-ethoxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2481404
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2658446
2-(difluoromethylsulfanyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 18189532
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenylbenzamide
CID 55339888
N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
N-[2-(3-ethynylanilino)-2-oxoethyl]-2-(4-methoxyanilino)-N-methylbenzamide
CID 55957168

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide (CID 38008073) is 2-[(4-methoxybenzoyl)amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is HDHFJIUBUATFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-17-8-12-19(13-9-17)26-23(29)16-28(2)25(31)21-6-4-5-7-22(21)27-24(30)18-10-14-20(32-3)15-11-18/h4-15H,16H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
2-[(4-methoxybenzoyl)amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 431.49 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 38008073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).