[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

C24H28N2O3 — CID 9017699

IUPAC[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCCc1ccc([C@@H](NC(=O)COC(=O)Cc2c[nH]c3ccccc23)C(C)C)cc1
InChIInChI=1S/C24H28N2O3/c1-4-17-9-11-18(12-10-17)24(16(2)3)26-22(27)15-29-23(28)13-19-14-25-21-8-6-5-7-20(19)21/h5-12,14,16,24-25H,4,13,15H2,1-3H3,(H,26,27)/t24-/m0/s1
InChIKeyCUXRTWUGOGFYFU-DEOSSOPVSA-N
MW392.50 g/mol
LogP4.33
Rot. Bonds8

About [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 9017699) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID9017699
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCCc1ccc([C@@H](NC(=O)COC(=O)Cc2c[nH]c3ccccc23)C(C)C)cc1
InChIInChI=1S/C24H28N2O3/c1-4-17-9-11-18(12-10-17)24(16(2)3)26-22(27)15-29-23(28)13-19-14-25-21-8-6-5-7-20(19)21/h5-12,14,16,24-25H,4,13,15H2,1-3H3,(H,26,27)/t24-/m0/s1
InChIKeyCUXRTWUGOGFYFU-DEOSSOPVSA-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-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate with MolForge

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665948
[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960358
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 4802171
[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-phenoxyacetate
CID 9018343
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 4031786
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7664572
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659140
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169307
N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-hydroxyphenoxy)acetamide
CID 78810754
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7664683

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 9017699) is [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is CCc1ccc([C@@H](NC(=O)COC(=O)Cc2c[nH]c3ccccc23)C(C)C)cc1.
What is the InChIKey of [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is CUXRTWUGOGFYFU-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-4-17-9-11-18(12-10-17)24(16(2)3)26-22(27)15-29-23(28)13-19-14-25-21-8-6-5-7-20(19)21/h5-12,14,16,24-25H,4,13,15H2,1-3H3,(H,26,27)/t24-/m0/s1.
What are the key properties of [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]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-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 9017699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).