4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide

C25H27N3O3 — CID 43001096

IUPAC4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)C(C)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C25H27N3O3/c1-16-9-10-17(2)22(15-16)26-18(3)24(29)27-20-13-11-19(12-14-20)25(30)28-21-7-5-6-8-23(21)31-4/h5-15,18,26H,1-4H3,(H,27,29)(H,28,30)
InChIKeyZAOKVHCJCPVHPI-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.00
Rot. Bonds7

About 4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide

4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide (PubChem CID 43001096) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide
PubChem CID43001096
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)C(C)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C25H27N3O3/c1-16-9-10-17(2)22(15-16)26-18(3)24(29)27-20-13-11-19(12-14-20)25(30)28-21-7-5-6-8-23(21)31-4/h5-15,18,26H,1-4H3,(H,27,29)(H,28,30)
InChIKeyZAOKVHCJCPVHPI-UHFFFAOYSA-N
XLogP5.00
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
4-[[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798118
4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798117
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethylbenzamide
CID 9245041
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 46547571
N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide
CID 17428772
N-(2-methoxyphenyl)-4-[2-(3-methylphenyl)sulfanylpropanoylamino]benzamide
CID 60594384
(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331
2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 142804897
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-(2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2842934

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide (CID 43001096) is 4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)C(C)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of 4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is ZAOKVHCJCPVHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-16-9-10-17(2)22(15-16)26-18(3)24(29)27-20-13-11-19(12-14-20)25(30)28-21-7-5-6-8-23(21)31-4/h5-15,18,26H,1-4H3,(H,27,29)(H,28,30).
What are the key properties of 4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide?
4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 417.51 g/mol, XLogP of 5.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 43001096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).