1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide

C25H24N2O3 — CID 11718287

IUPAC1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(Cc3ccccc3)c3ccccc23)c(OC)c1
InChIInChI=1S/C25H24N2O3/c1-29-20-13-12-19(24(14-20)30-2)15-26-25(28)22-17-27(16-18-8-4-3-5-9-18)23-11-7-6-10-21(22)23/h3-14,17H,15-16H2,1-2H3,(H,26,28)
InChIKeyXKPOBXGDICSLKW-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.64
Rot. Bonds7

About 1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide

1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide (PubChem CID 11718287) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide
PubChem CID11718287
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(Cc3ccccc3)c3ccccc23)c(OC)c1
InChIInChI=1S/C25H24N2O3/c1-29-20-13-12-19(24(14-20)30-2)15-26-25(28)22-17-27(16-18-8-4-3-5-9-18)23-11-7-6-10-21(22)23/h3-14,17H,15-16H2,1-2H3,(H,26,28)
InChIKeyXKPOBXGDICSLKW-UHFFFAOYSA-N
XLogP4.64
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]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

3-(1-benzylindol-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 4616420
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
CID 46834191
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]indole-3-carboxamide
CID 47072758
1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide
CID 166984969
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 46590301
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636
2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155797600
(1-benzyl-5-methoxyindol-3-yl) acetate
CID 50941305
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide (CID 11718287) is 1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide is COc1ccc(CNC(=O)c2cn(Cc3ccccc3)c3ccccc23)c(OC)c1.
What is the InChIKey of 1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide?
The InChIKey is XKPOBXGDICSLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-29-20-13-12-19(24(14-20)30-2)15-26-25(28)22-17-27(16-18-8-4-3-5-9-18)23-11-7-6-10-21(22)23/h3-14,17H,15-16H2,1-2H3,(H,26,28).
What are the key properties of 1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide?
1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide is sourced from PubChem (CID 11718287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).