[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

C21H22N2O3 — CID 2577795

IUPAC[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESCc1ccc(CNC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H22N2O3/c1-15-6-8-16(9-7-15)12-23-20(24)14-26-21(25)11-10-17-13-22-19-5-3-2-4-18(17)19/h2-9,13,22H,10-12,14H2,1H3,(H,23,24)
InChIKeyUHAPTVFRLQLYIR-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.27
Rot. Bonds7

About [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (PubChem CID 2577795) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
PubChem CID2577795
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESCc1ccc(CNC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H22N2O3/c1-15-6-8-16(9-7-15)12-23-20(24)14-26-21(25)11-10-17-13-22-19-5-3-2-4-18(17)19/h2-9,13,22H,10-12,14H2,1H3,(H,23,24)
InChIKeyUHAPTVFRLQLYIR-UHFFFAOYSA-N
XLogP3.27
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2495066
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7605261
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2475685
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 4270679
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 41427385
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169307
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169511
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2556581
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(1H-indol-3-yl)propanoate
CID 40651024
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
CID 4024790
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2577808

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (CID 2577795) is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is Cc1ccc(CNC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The InChIKey is UHAPTVFRLQLYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15-6-8-16(9-7-15)12-23-20(24)14-26-21(25)11-10-17-13-22-19-5-3-2-4-18(17)19/h2-9,13,22H,10-12,14H2,1H3,(H,23,24).
What are the key properties of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate has a molecular weight of 350.42 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 2577795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).