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

C20H22N2O2 — CID 53160301

IUPACN-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide
SMILESCCOc1ccc(CNC(=O)CCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C20H22N2O2/c1-2-24-17-9-6-15(7-10-17)14-22-20(23)11-8-16-4-3-5-19-18(16)12-13-21-19/h3-7,9-10,12-13,21H,2,8,11,14H2,1H3,(H,22,23)
InChIKeyACKAGGWASQAMJO-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.82
Rot. Bonds7

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

N-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide (PubChem CID 53160301) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide
PubChem CID53160301
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide
SMILESCCOc1ccc(CNC(=O)CCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C20H22N2O2/c1-2-24-17-9-6-15(7-10-17)14-22-20(23)11-8-16-4-3-5-19-18(16)12-13-21-19/h3-7,9-10,12-13,21H,2,8,11,14H2,1H3,(H,22,23)
InChIKeyACKAGGWASQAMJO-UHFFFAOYSA-N
XLogP3.82
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-ethoxyphenyl)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-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide
CID 53160300
N-(2-ethoxyphenyl)-3-(1H-indol-4-yl)propanamide
CID 53160274
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
N-[(4-ethoxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167842
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 55659713
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 38537408
N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-5-yl)propanamide
CID 71840809
3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027444
3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
CID 4616418
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 26447481
N-[(4-ethoxyphenyl)methyl]-3-oxobutanamide
CID 115176377
N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 17478687

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide (CID 53160301) is N-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide is CCOc1ccc(CNC(=O)CCc2cccc3[nH]ccc23)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide?
The InChIKey is ACKAGGWASQAMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-24-17-9-6-15(7-10-17)14-22-20(23)11-8-16-4-3-5-19-18(16)12-13-21-19/h3-7,9-10,12-13,21H,2,8,11,14H2,1H3,(H,22,23).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide?
N-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide has a molecular weight of 322.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide is sourced from PubChem (CID 53160301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).