[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate

C17H22N2O3 — CID 178136031

IUPAC[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate
SMILESCCCC(OC(C)=O)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H22N2O3/c1-3-6-16(22-12(2)20)17(21)18-10-9-13-11-19-15-8-5-4-7-14(13)15/h4-5,7-8,11,16,19H,3,6,9-10H2,1-2H3,(H,18,21)
InChIKeyLIOAKAIHUZTFRT-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.56
Rot. Bonds7

About [1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate

[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate (PubChem CID 178136031) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is [1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate.

Molecular Properties

Compound Name[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate
PubChem CID178136031
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate
SMILESCCCC(OC(C)=O)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H22N2O3/c1-3-6-16(22-12(2)20)17(21)18-10-9-13-11-19-15-8-5-4-7-14(13)15/h4-5,7-8,11,16,19H,3,6,9-10H2,1-2H3,(H,18,21)
InChIKeyLIOAKAIHUZTFRT-UHFFFAOYSA-N
XLogP2.56
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 103830896
2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide
CID 90754390
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
[2-(1H-indol-3-yl)ethylamino] acetate
CID 19864349
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511537
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
2-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108508463
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate?
The IUPAC name of [1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate (CID 178136031) is [1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate.
What is the SMILES notation for [1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate?
The canonical SMILES for [1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate is CCCC(OC(C)=O)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of [1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate?
The InChIKey is LIOAKAIHUZTFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-6-16(22-12(2)20)17(21)18-10-9-13-11-19-15-8-5-4-7-14(13)15/h4-5,7-8,11,16,19H,3,6,9-10H2,1-2H3,(H,18,21).
What are the key properties of [1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate?
[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate has a molecular weight of 302.37 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate is sourced from PubChem (CID 178136031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).