[2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate

C19H18N2O3 — CID 7492818

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate
SMILESO=C(COC(=O)c1c[nH]c2ccccc12)NCCc1ccccc1
InChIInChI=1S/C19H18N2O3/c22-18(20-11-10-14-6-2-1-3-7-14)13-24-19(23)16-12-21-17-9-5-4-8-15(16)17/h1-9,12,21H,10-11,13H2,(H,20,22)
InChIKeyMZWFXOYNVOWKLI-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.68
Rot. Bonds6

About [2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate

[2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate (PubChem CID 7492818) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate
PubChem CID7492818
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate
SMILESO=C(COC(=O)c1c[nH]c2ccccc12)NCCc1ccccc1
InChIInChI=1S/C19H18N2O3/c22-18(20-11-10-14-6-2-1-3-7-14)13-24-19(23)16-12-21-17-9-5-4-8-15(16)17/h1-9,12,21H,10-11,13H2,(H,20,22)
InChIKeyMZWFXOYNVOWKLI-UHFFFAOYSA-N
XLogP2.68
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492809
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492935
2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)ethanethioamide
CID 2973316
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate
CID 7492917
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate
CID 9202567
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573453
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492820
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8551687
2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone
CID 110655218
[2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate
CID 7976840

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate (CID 7492818) is [2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate is O=C(COC(=O)c1c[nH]c2ccccc12)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate?
The InChIKey is MZWFXOYNVOWKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-18(20-11-10-14-6-2-1-3-7-14)13-24-19(23)16-12-21-17-9-5-4-8-15(16)17/h1-9,12,21H,10-11,13H2,(H,20,22).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate?
[2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 7492818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).