[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

C24H28N2O3 — CID 7960358

IUPAC[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCC(C)Cc1ccc([C@@H](C)NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H28N2O3/c1-16(2)12-18-8-10-19(11-9-18)17(3)26-23(27)15-29-24(28)13-20-14-25-22-7-5-4-6-21(20)22/h4-11,14,16-17,25H,12-13,15H2,1-3H3,(H,26,27)/t17-/m1/s1
InChIKeyRPTKHPHZACEMGU-QGZVFWFLSA-N
MW392.50 g/mol
LogP4.33
Rot. Bonds8

About [2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 7960358) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is [2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID7960358
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCC(C)Cc1ccc([C@@H](C)NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H28N2O3/c1-16(2)12-18-8-10-19(11-9-18)17(3)26-23(27)15-29-24(28)13-20-14-25-22-7-5-4-6-21(20)22/h4-11,14,16-17,25H,12-13,15H2,1-3H3,(H,26,27)/t17-/m1/s1
InChIKeyRPTKHPHZACEMGU-QGZVFWFLSA-N
XLogP4.33
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate with MolForge

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Related Compounds

[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate
CID 8865803
[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 9017699
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 4802171
[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate
CID 55325889
[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665948
N-[1-(1H-indol-3-yl)propan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 2827377
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7725126
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7664572
2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17427007
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8607448
2-(1H-indol-3-yl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 40810685

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 7960358) is [2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is CC(C)Cc1ccc([C@@H](C)NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of [2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is RPTKHPHZACEMGU-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16(2)12-18-8-10-19(11-9-18)17(3)26-23(27)15-29-24(28)13-20-14-25-22-7-5-4-6-21(20)22/h4-11,14,16-17,25H,12-13,15H2,1-3H3,(H,26,27)/t17-/m1/s1.
What are the key properties of [2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 392.50 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 7960358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).