3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide

C22H22N2O3 — CID 112985952

IUPAC3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Nc3cccc(C)c3)cc2)c1
InChIInChI=1S/C22H22N2O3/c1-15-5-4-6-19(11-15)23-17-7-9-18(10-8-17)24-22(25)16-12-20(26-2)14-21(13-16)27-3/h4-14,23H,1-3H3,(H,24,25)
InChIKeyAYNDPCSTXMRZME-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.01
Rot. Bonds6

About 3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide

3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide (PubChem CID 112985952) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
PubChem CID112985952
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Nc3cccc(C)c3)cc2)c1
InChIInChI=1S/C22H22N2O3/c1-15-5-4-6-19(11-15)23-17-7-9-18(10-8-17)24-22(25)16-12-20(26-2)14-21(13-16)27-3/h4-14,23H,1-3H3,(H,24,25)
InChIKeyAYNDPCSTXMRZME-UHFFFAOYSA-N
XLogP5.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]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

3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985955
N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide
CID 112988213
N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986757
4-[(3,5-dimethoxybenzoyl)amino]benzoate
CID 3699347
3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide
CID 112987423
N-[4-(3-methoxyanilino)phenyl]pyridine-3-carboxamide
CID 112987448
N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide
CID 110604740
3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
CID 24636290
2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7979806
N-(3,5-dimethoxyphenyl)-4-methyl-2-(3-methylanilino)-1,3-thiazole-5-carboxamide
CID 53152783
N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide
CID 112985944

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide (CID 112985952) is 3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(Nc3cccc(C)c3)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide?
The InChIKey is AYNDPCSTXMRZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15-5-4-6-19(11-15)23-17-7-9-18(10-8-17)24-22(25)16-12-20(26-2)14-21(13-16)27-3/h4-14,23H,1-3H3,(H,24,25).
What are the key properties of 3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide?
3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide is sourced from PubChem (CID 112985952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).