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

C20H20N2O4 — CID 9018351

IUPAC[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H20N2O4/c23-19(13-26-20(24)14-25-16-6-2-1-3-7-16)21-11-10-15-12-22-18-9-5-4-8-17(15)18/h1-9,12,22H,10-11,13-14H2,(H,21,23)
InChIKeyOGBDLVLNMOVLQX-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.45
Rot. Bonds8

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

[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate (PubChem CID 9018351) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate
PubChem CID9018351
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H20N2O4/c23-19(13-26-20(24)14-25-16-6-2-1-3-7-16)21-11-10-15-12-22-18-9-5-4-8-17(15)18/h1-9,12,22H,10-11,13-14H2,(H,21,23)
InChIKeyOGBDLVLNMOVLQX-UHFFFAOYSA-N
XLogP2.45
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405572
2-(4-ethylphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710642
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993925
2-(3-ethoxyphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112977733
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 9337378
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] cyclohexanecarboxylate
CID 9017170
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8551687
2-amino-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]acetamide
CID 61258221
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate
CID 9202567
[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
CID 4024790

Frequently Asked Questions

What is the IUPAC name of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate?
The IUPAC name of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate (CID 9018351) is [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate is O=C(COC(=O)COc1ccccc1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is OGBDLVLNMOVLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-19(13-26-20(24)14-25-16-6-2-1-3-7-16)21-11-10-15-12-22-18-9-5-4-8-17(15)18/h1-9,12,22H,10-11,13-14H2,(H,21,23).
What are the key properties of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate?
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate has a molecular weight of 352.39 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate is sourced from PubChem (CID 9018351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).