N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3,4-dimethoxybenzamide

C25H27N3O4 — CID 23443327

IUPACN-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)cc1OC
InChIInChI=1S/C25H27N3O4/c1-16-9-11-19(26-24(29)17-7-6-8-20(13-17)28(2)3)15-21(16)27-25(30)18-10-12-22(31-4)23(14-18)32-5/h6-15H,1-5H3,(H,26,29)(H,27,30)
InChIKeyYASXCJCKSILTAJ-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.58
Rot. Bonds7

About N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3,4-dimethoxybenzamide

N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3,4-dimethoxybenzamide (PubChem CID 23443327) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3,4-dimethoxybenzamide
PubChem CID23443327
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)cc1OC
InChIInChI=1S/C25H27N3O4/c1-16-9-11-19(26-24(29)17-7-6-8-20(13-17)28(2)3)15-21(16)27-25(30)18-10-12-22(31-4)23(14-18)32-5/h6-15H,1-5H3,(H,26,29)(H,27,30)
InChIKeyYASXCJCKSILTAJ-UHFFFAOYSA-N
XLogP4.58
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3,4-dimethoxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3,4-dimethoxybenzamide (CID 23443327) is N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)cc1OC.
What is the InChIKey of N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3,4-dimethoxybenzamide?
The InChIKey is YASXCJCKSILTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-16-9-11-19(26-24(29)17-7-6-8-20(13-17)28(2)3)15-21(16)27-25(30)18-10-12-22(31-4)23(14-18)32-5/h6-15H,1-5H3,(H,26,29)(H,27,30).
What are the key properties of N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3,4-dimethoxybenzamide?
N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3,4-dimethoxybenzamide has a molecular weight of 433.51 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 23443327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).