[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate

C26H23NO4 — CID 18205599

IUPAC[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OC(C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C26H23NO4/c1-18-9-5-8-14-23(18)30-16-15-24(28)31-26(19-10-3-2-4-11-19)25(29)21-17-27-22-13-7-6-12-20(21)22/h2-14,17,26-27H,15-16H2,1H3
InChIKeyYZOHSXNTQBZQFS-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.41
Rot. Bonds8

About [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate

[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate (PubChem CID 18205599) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate
PubChem CID18205599
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OC(C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C26H23NO4/c1-18-9-5-8-14-23(18)30-16-15-24(28)31-26(19-10-3-2-4-11-19)25(29)21-17-27-22-13-7-6-12-20(21)22/h2-14,17,26-27H,15-16H2,1H3
InChIKeyYZOHSXNTQBZQFS-UHFFFAOYSA-N
XLogP5.41
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2,3-dimethylbenzoate
CID 4571389
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate
CID 3574939
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 3388091
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 42984043
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3282092
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-methoxy-4-propoxybenzoate
CID 3504563
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
CID 9139492
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 2479594
[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2450529
(2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate
CID 140889277
trans-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019706
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 5002393

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate (CID 18205599) is [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate is Cc1ccccc1OCCC(=O)OC(C(=O)c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate?
The InChIKey is YZOHSXNTQBZQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-18-9-5-8-14-23(18)30-16-15-24(28)31-26(19-10-3-2-4-11-19)25(29)21-17-27-22-13-7-6-12-20(21)22/h2-14,17,26-27H,15-16H2,1H3.
What are the key properties of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate?
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate has a molecular weight of 413.47 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate is sourced from PubChem (CID 18205599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).