3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide

C19H20N2O2 — CID 2529144

IUPAC3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H20N2O2/c1-23-16-9-6-14(7-10-16)12-21-19(22)11-8-15-13-20-18-5-3-2-4-17(15)18/h2-7,9-10,13,20H,8,11-12H2,1H3,(H,21,22)
InChIKeyYAORMDMSQOUEPF-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.43
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide

3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 2529144) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID2529144
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H20N2O2/c1-23-16-9-6-14(7-10-16)12-21-19(22)11-8-15-13-20-18-5-3-2-4-17(15)18/h2-7,9-10,13,20H,8,11-12H2,1H3,(H,21,22)
InChIKeyYAORMDMSQOUEPF-UHFFFAOYSA-N
XLogP3.43
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide 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 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide (CID 2529144) is 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is YAORMDMSQOUEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-23-16-9-6-14(7-10-16)12-21-19(22)11-8-15-13-20-18-5-3-2-4-17(15)18/h2-7,9-10,13,20H,8,11-12H2,1H3,(H,21,22).
What are the key properties of 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 308.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 2529144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).