2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide

C21H24N2O3 — CID 5049435

IUPAC2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc3c(c2)cc(C)n3C)cc1OC
InChIInChI=1S/C21H24N2O3/c1-14-9-17-10-16(5-7-18(17)23(14)2)13-22-21(24)12-15-6-8-19(25-3)20(11-15)26-4/h5-11H,12-13H2,1-4H3,(H,22,24)
InChIKeyWTTFRCKEOIXCCK-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.36
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide (PubChem CID 5049435) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide
PubChem CID5049435
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc3c(c2)cc(C)n3C)cc1OC
InChIInChI=1S/C21H24N2O3/c1-14-9-17-10-16(5-7-18(17)23(14)2)13-22-21(24)12-15-6-8-19(25-3)20(11-15)26-4/h5-11H,12-13H2,1-4H3,(H,22,24)
InChIKeyWTTFRCKEOIXCCK-UHFFFAOYSA-N
XLogP3.36
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide 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 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide (CID 5049435) is 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide is COc1ccc(CC(=O)NCc2ccc3c(c2)cc(C)n3C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide?
The InChIKey is WTTFRCKEOIXCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-9-17-10-16(5-7-18(17)23(14)2)13-22-21(24)12-15-6-8-19(25-3)20(11-15)26-4/h5-11H,12-13H2,1-4H3,(H,22,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide is sourced from PubChem (CID 5049435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).