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

C23H24N2O4 — CID 112985955

IUPAC3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(Nc3cccc(C)c3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H24N2O4/c1-15-6-5-7-19(12-15)24-17-8-10-18(11-9-17)25-23(26)16-13-20(27-2)22(29-4)21(14-16)28-3/h5-14,24H,1-4H3,(H,25,26)
InChIKeyAHHVDGLDSXLBSI-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.02
Rot. Bonds7

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

3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide (PubChem CID 112985955) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
PubChem CID112985955
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(Nc3cccc(C)c3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H24N2O4/c1-15-6-5-7-19(12-15)24-17-8-10-18(11-9-17)25-23(26)16-13-20(27-2)22(29-4)21(14-16)28-3/h5-14,24H,1-4H3,(H,25,26)
InChIKeyAHHVDGLDSXLBSI-UHFFFAOYSA-N
XLogP5.02
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,4,5-trimethoxy-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

3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985952
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231092
3-methyl-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126229364
3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 27166909
N-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
CID 109176250
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide
CID 58506929
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
CID 5167403
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
3,5-dimethoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 2092676

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide (CID 112985955) is 3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide is COc1cc(C(=O)Nc2ccc(Nc3cccc(C)c3)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide?
The InChIKey is AHHVDGLDSXLBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15-6-5-7-19(12-15)24-17-8-10-18(11-9-17)25-23(26)16-13-20(27-2)22(29-4)21(14-16)28-3/h5-14,24H,1-4H3,(H,25,26).
What are the key properties of 3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide?
3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide has a molecular weight of 392.46 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide is sourced from PubChem (CID 112985955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).