[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate

C20H21NO5 — CID 7586805

IUPAC[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c1
InChIInChI=1S/C20H21NO5/c1-13-10-14-6-4-5-7-17(14)21(13)19(22)12-26-20(23)16-11-15(24-2)8-9-18(16)25-3/h4-9,11,13H,10,12H2,1-3H3/t13-/m1/s1
InChIKeyZPJJMTFJJBSKJY-CYBMUJFWSA-N
MW355.39 g/mol
LogP2.84
Rot. Bonds5

About [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate

[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate (PubChem CID 7586805) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate
PubChem CID7586805
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c1
InChIInChI=1S/C20H21NO5/c1-13-10-14-6-4-5-7-17(14)21(13)19(22)12-26-20(23)16-11-15(24-2)8-9-18(16)25-3/h4-9,11,13H,10,12H2,1-3H3/t13-/m1/s1
InChIKeyZPJJMTFJJBSKJY-CYBMUJFWSA-N
XLogP2.84
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7291483
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075553
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-hydroxybenzoate
CID 7485166
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7416270
5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde
CID 8634050
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2110241
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4790362
2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9355386
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-bromobenzoate
CID 2429819
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate
CID 18776805
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 6213371
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 4881991

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate?
The IUPAC name of [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate (CID 7586805) is [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate.
What is the SMILES notation for [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate?
The canonical SMILES for [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate is COc1ccc(OC)c(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c1.
What is the InChIKey of [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate?
The InChIKey is ZPJJMTFJJBSKJY-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21NO5/c1-13-10-14-6-4-5-7-17(14)21(13)19(22)12-26-20(23)16-11-15(24-2)8-9-18(16)25-3/h4-9,11,13H,10,12H2,1-3H3/t13-/m1/s1.
What are the key properties of [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate?
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate has a molecular weight of 355.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate is sourced from PubChem (CID 7586805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).