[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamidobenzoate

C20H20N2O4 — CID 4147834

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C20H20N2O4/c1-13-10-15-6-3-4-9-18(15)22(13)19(24)12-26-20(25)16-7-5-8-17(11-16)21-14(2)23/h3-9,11,13H,10,12H2,1-2H3,(H,21,23)
InChIKeyXBGWVGJRXPGGMF-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.78
Rot. Bonds4

About [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamidobenzoate

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamidobenzoate (PubChem CID 4147834) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamidobenzoate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamidobenzoate
PubChem CID4147834
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C20H20N2O4/c1-13-10-15-6-3-4-9-18(15)22(13)19(24)12-26-20(25)16-7-5-8-17(11-16)21-14(2)23/h3-9,11,13H,10,12H2,1-2H3,(H,21,23)
InChIKeyXBGWVGJRXPGGMF-UHFFFAOYSA-N
XLogP2.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
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] 3-acetamidobenzoate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamidobenzoate (CID 4147834) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamidobenzoate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamidobenzoate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamidobenzoate is CC(=O)Nc1cccc(C(=O)OCC(=O)N2c3ccccc3CC2C)c1.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamidobenzoate?
The InChIKey is XBGWVGJRXPGGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13-10-15-6-3-4-9-18(15)22(13)19(24)12-26-20(25)16-7-5-8-17(11-16)21-14(2)23/h3-9,11,13H,10,12H2,1-2H3,(H,21,23).
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamidobenzoate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamidobenzoate has a molecular weight of 352.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 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] 3-acetamidobenzoate is sourced from PubChem (CID 4147834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).