[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate

C20H20N2O4 — CID 2416741

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H20N2O4/c1-14-5-4-7-16(11-14)20(25)21-12-19(24)26-13-18(23)22-10-9-15-6-2-3-8-17(15)22/h2-8,11H,9-10,12-13H2,1H3,(H,21,25)
InChIKeyNKFMCIDLZXBLBF-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.86
Rot. Bonds5

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate (PubChem CID 2416741) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
PubChem CID2416741
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H20N2O4/c1-14-5-4-7-16(11-14)20(25)21-12-19(24)26-13-18(23)22-10-9-15-6-2-3-8-17(15)22/h2-8,11H,9-10,12-13H2,1H3,(H,21,25)
InChIKeyNKFMCIDLZXBLBF-UHFFFAOYSA-N
XLogP1.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate (CID 2416741) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate is Cc1cccc(C(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)c1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
The InChIKey is NKFMCIDLZXBLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-14-5-4-7-16(11-14)20(25)21-12-19(24)26-13-18(23)22-10-9-15-6-2-3-8-17(15)22/h2-8,11H,9-10,12-13H2,1H3,(H,21,25).
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate has a molecular weight of 352.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate is sourced from PubChem (CID 2416741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).