[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate

C25H23NO4 — CID 23907050

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H23NO4/c1-18-15-21-9-5-6-10-23(21)26(18)24(27)16-30-25(28)17-29-22-13-11-20(12-14-22)19-7-3-2-4-8-19/h2-14,18H,15-17H2,1H3
InChIKeyAUYGZEPFEKCDCJ-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.25
Rot. Bonds6

About [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate (PubChem CID 23907050) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate
PubChem CID23907050
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H23NO4/c1-18-15-21-9-5-6-10-23(21)26(18)24(27)16-30-25(28)17-29-22-13-11-20(12-14-22)19-7-3-2-4-8-19/h2-14,18H,15-17H2,1H3
InChIKeyAUYGZEPFEKCDCJ-UHFFFAOYSA-N
XLogP4.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate (CID 23907050) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate is CC1Cc2ccccc2N1C(=O)COC(=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate?
The InChIKey is AUYGZEPFEKCDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-18-15-21-9-5-6-10-23(21)26(18)24(27)16-30-25(28)17-29-22-13-11-20(12-14-22)19-7-3-2-4-8-19/h2-14,18H,15-17H2,1H3.
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate has a molecular weight of 401.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate is sourced from PubChem (CID 23907050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).