[2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate

C23H26N2O5 — CID 9289695

IUPAC[2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H26N2O5/c1-3-29-15-23(27)30-14-22(26)25-12-19(16-8-10-17(28-2)11-9-16)20-13-24-21-7-5-4-6-18(20)21/h4-11,13,19,24H,3,12,14-15H2,1-2H3,(H,25,26)/t19-/m0/s1
InChIKeyYBEQUNOONYGOBG-IBGZPJMESA-N
MW410.47 g/mol
LogP3.00
Rot. Bonds10

About [2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate

[2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate (PubChem CID 9289695) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is [2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate.

Molecular Properties

Compound Name[2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate
PubChem CID9289695
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name[2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H26N2O5/c1-3-29-15-23(27)30-14-22(26)25-12-19(16-8-10-17(28-2)11-9-16)20-13-24-21-7-5-4-6-18(20)21/h4-11,13,19,24H,3,12,14-15H2,1-2H3,(H,25,26)/t19-/m0/s1
InChIKeyYBEQUNOONYGOBG-IBGZPJMESA-N
XLogP3.00
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate with MolForge

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Related Compounds

N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
2-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014560
2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014563
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
CID 43007542
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 35129166
2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 43061749
[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
CID 8808245
2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
CID 119266811
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 128963531
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate?
The IUPAC name of [2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate (CID 9289695) is [2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate.
What is the SMILES notation for [2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate?
The canonical SMILES for [2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate is CCOCC(=O)OCC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of [2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate?
The InChIKey is YBEQUNOONYGOBG-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N2O5/c1-3-29-15-23(27)30-14-22(26)25-12-19(16-8-10-17(28-2)11-9-16)20-13-24-21-7-5-4-6-18(20)21/h4-11,13,19,24H,3,12,14-15H2,1-2H3,(H,25,26)/t19-/m0/s1.
What are the key properties of [2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate?
[2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate has a molecular weight of 410.47 g/mol, XLogP of 3.00, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate is sourced from PubChem (CID 9289695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).