[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate

C25H23NO4 — CID 2127625

IUPAC[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate
SMILESC[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H23NO4/c1-18-15-21-9-5-6-10-23(21)26(18)24(27)17-30-25(28)20-11-13-22(14-12-20)29-16-19-7-3-2-4-8-19/h2-14,18H,15-17H2,1H3/t18-/m1/s1
InChIKeyJTWDLIIGBFQMMZ-GOSISDBHSA-N
MW401.46 g/mol
LogP4.40
Rot. Bonds6

About [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate

[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate (PubChem CID 2127625) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate
PubChem CID2127625
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate
SMILESC[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H23NO4/c1-18-15-21-9-5-6-10-23(21)26(18)24(27)17-30-25(28)20-11-13-22(14-12-20)29-16-19-7-3-2-4-8-19/h2-14,18H,15-17H2,1H3/t18-/m1/s1
InChIKeyJTWDLIIGBFQMMZ-GOSISDBHSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate with MolForge

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Related Compounds

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate
CID 18078937
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-ethylbenzoate
CID 42962850
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] pyridine-4-carboxylate
CID 7889736
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone
CID 2339721
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3,4-diethoxybenzoate
CID 7381920
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-benzylbenzoate
CID 7809555
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 23907050
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3,5-difluorobenzoate
CID 7925849
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7769267
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273989
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate?
The IUPAC name of [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate (CID 2127625) is [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate.
What is the SMILES notation for [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate?
The canonical SMILES for [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate is C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate?
The InChIKey is JTWDLIIGBFQMMZ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H23NO4/c1-18-15-21-9-5-6-10-23(21)26(18)24(27)17-30-25(28)20-11-13-22(14-12-20)29-16-19-7-3-2-4-8-19/h2-14,18H,15-17H2,1H3/t18-/m1/s1.
What are the key properties of [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate?
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate has a molecular weight of 401.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate is sourced from PubChem (CID 2127625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).