[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate

C20H20N2O3 — CID 9202567

IUPAC[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H20N2O3/c1-14-6-2-3-7-16(14)20(24)25-13-19(23)21-11-10-15-12-22-18-9-5-4-8-17(15)18/h2-9,12,22H,10-11,13H2,1H3,(H,21,23)
InChIKeyHVFYYOJDGYINKG-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.99
Rot. Bonds6

About [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate

[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate (PubChem CID 9202567) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate.

Molecular Properties

Compound Name[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate
PubChem CID9202567
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H20N2O3/c1-14-6-2-3-7-16(14)20(24)25-13-19(23)21-11-10-15-12-22-18-9-5-4-8-17(15)18/h2-9,12,22H,10-11,13H2,1H3,(H,21,23)
InChIKeyHVFYYOJDGYINKG-UHFFFAOYSA-N
XLogP2.99
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 8807940
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 9229214
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8551687
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405572
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18202739
[2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate
CID 7492818
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 9018351
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 9337378
2-(4-ethylphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710642
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018

Frequently Asked Questions

What is the IUPAC name of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate?
The IUPAC name of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate (CID 9202567) is [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate.
What is the SMILES notation for [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate?
The canonical SMILES for [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate is Cc1ccccc1C(=O)OCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate?
The InChIKey is HVFYYOJDGYINKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14-6-2-3-7-16(14)20(24)25-13-19(23)21-11-10-15-12-22-18-9-5-4-8-17(15)18/h2-9,12,22H,10-11,13H2,1H3,(H,21,23).
What are the key properties of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate?
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate has a molecular weight of 336.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate is sourced from PubChem (CID 9202567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).