(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide

C21H21N3O2 — CID 40649871

IUPAC(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESC[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O
InChIInChI=1S/C21H21N3O2/c1-14(24-13-16-6-2-3-8-18(16)21(24)26)20(25)22-11-10-15-12-23-19-9-5-4-7-17(15)19/h2-9,12,14,23H,10-11,13H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyRATCGRLRHXESTK-AWEZNQCLSA-N
MW347.42 g/mol
LogP2.87
Rot. Bonds5

About (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide

(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 40649871) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID40649871
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESC[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O
InChIInChI=1S/C21H21N3O2/c1-14(24-13-16-6-2-3-8-18(16)21(24)26)20(25)22-11-10-15-12-23-19-9-5-4-7-17(15)19/h2-9,12,14,23H,10-11,13H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyRATCGRLRHXESTK-AWEZNQCLSA-N
XLogP2.87
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-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

2-(4-hydroxypiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110884235
methyl 3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoyl]amino]propanoate
CID 42648916
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 17465860
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 163091654
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
N,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 60603404
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
(2R)-N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
CID 95607706
2-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108508463

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide (CID 40649871) is (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide is C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O.
What is the InChIKey of (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is RATCGRLRHXESTK-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14(24-13-16-6-2-3-8-18(16)21(24)26)20(25)22-11-10-15-12-23-19-9-5-4-7-17(15)19/h2-9,12,14,23H,10-11,13H2,1H3,(H,22,25)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 347.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 40649871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).