N-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide

C20H22N2O3 — CID 53160300

IUPACN-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide
SMILESCOc1cc(CNC(=O)CCc2cccc3[nH]ccc23)cc(OC)c1
InChIInChI=1S/C20H22N2O3/c1-24-16-10-14(11-17(12-16)25-2)13-22-20(23)7-6-15-4-3-5-19-18(15)8-9-21-19/h3-5,8-12,21H,6-7,13H2,1-2H3,(H,22,23)
InChIKeyBODHJRKASDSDCW-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.43
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide

N-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide (PubChem CID 53160300) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide
PubChem CID53160300
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide
SMILESCOc1cc(CNC(=O)CCc2cccc3[nH]ccc23)cc(OC)c1
InChIInChI=1S/C20H22N2O3/c1-24-16-10-14(11-17(12-16)25-2)13-22-20(23)7-6-15-4-3-5-19-18(15)8-9-21-19/h3-5,8-12,21H,6-7,13H2,1-2H3,(H,22,23)
InChIKeyBODHJRKASDSDCW-UHFFFAOYSA-N
XLogP3.43
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide 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

N-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide
CID 53160301
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870487
3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 71840754
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500
N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570846
N-(3-acetylphenyl)-3-(1H-indol-4-yl)propanamide
CID 53160273
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 53160277
3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 6736716
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
N-(2-ethoxyphenyl)-3-(1H-indol-4-yl)propanamide
CID 53160274

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide (CID 53160300) is N-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide is COc1cc(CNC(=O)CCc2cccc3[nH]ccc23)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide?
The InChIKey is BODHJRKASDSDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-24-16-10-14(11-17(12-16)25-2)13-22-20(23)7-6-15-4-3-5-19-18(15)8-9-21-19/h3-5,8-12,21H,6-7,13H2,1-2H3,(H,22,23).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide?
N-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide is sourced from PubChem (CID 53160300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).