(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide

C18H19N3O2 — CID 22691562

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H19N3O2/c1-23-14-6-4-5-13(10-14)21-18(22)16(19)9-12-11-20-17-8-3-2-7-15(12)17/h2-8,10-11,16,20H,9,19H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyADFXHIFEYCEVNB-INIZCTEOSA-N
MW309.37 g/mol
LogP2.68
Rot. Bonds5

About (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide

(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide (PubChem CID 22691562) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide
PubChem CID22691562
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H19N3O2/c1-23-14-6-4-5-13(10-14)21-18(22)16(19)9-12-11-20-17-8-3-2-7-15(12)17/h2-8,10-11,16,20H,9,19H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyADFXHIFEYCEVNB-INIZCTEOSA-N
XLogP2.68
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)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

2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 76892447
2-amino-3-(1H-indol-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 70147213
4-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzamide
CID 22691575
(2R)-2-amino-3-(1H-indol-3-yl)-N-(3-pyrazol-1-ylphenyl)propanamide;hydrochloride
CID 154912640
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 119956362
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 119955955
methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate
CID 22691580
(2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 22691563
2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 43841967
[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 2389155
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
(2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide
CID 22691619

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide (CID 22691562) is (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide?
The InChIKey is ADFXHIFEYCEVNB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-23-14-6-4-5-13(10-14)21-18(22)16(19)9-12-11-20-17-8-3-2-7-15(12)17/h2-8,10-11,16,20H,9,19H2,1H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide?
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide has a molecular weight of 309.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 22691562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).