4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide

C20H22N2O4 — CID 113206727

IUPAC4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)NCc3ccccc3C)c2c(OC)c1OC
InChIInChI=1S/C20H22N2O4/c1-12-7-5-6-8-13(12)10-22-20(23)14-11-21-15-9-16(24-2)18(25-3)19(26-4)17(14)15/h5-9,11,21H,10H2,1-4H3,(H,22,23)
InChIKeyGFLJGFJPLIOOGE-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.43
Rot. Bonds6

About 4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide

4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide (PubChem CID 113206727) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
PubChem CID113206727
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)NCc3ccccc3C)c2c(OC)c1OC
InChIInChI=1S/C20H22N2O4/c1-12-7-5-6-8-13(12)10-22-20(23)14-11-21-15-9-16(24-2)18(25-3)19(26-4)17(14)15/h5-9,11,21H,10H2,1-4H3,(H,22,23)
InChIKeyGFLJGFJPLIOOGE-UHFFFAOYSA-N
XLogP3.43
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide 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

4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206747
N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206787
4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 113206742
6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206529
N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206746
N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206798
4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide
CID 113206816
4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide
CID 113206791
4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide
CID 113206778
3-methoxy-N-[(2-methylphenyl)methyl]naphthalene-2-carboxamide
CID 9104702
5-methoxy-N-[(2-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205982
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of 4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide (CID 113206727) is 4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for 4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide is COc1cc2[nH]cc(C(=O)NCc3ccccc3C)c2c(OC)c1OC.
What is the InChIKey of 4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide?
The InChIKey is GFLJGFJPLIOOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-12-7-5-6-8-13(12)10-22-20(23)14-11-21-15-9-16(24-2)18(25-3)19(26-4)17(14)15/h5-9,11,21H,10H2,1-4H3,(H,22,23).
What are the key properties of 4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide?
4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 113206727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).