[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate

C20H18N2O5 — CID 8753386

IUPAC[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C20H18N2O5/c1-12(21-19(25)13-5-3-2-4-6-13)20(26)27-11-17(23)14-7-8-16-15(9-14)10-18(24)22-16/h2-9,12H,10-11H2,1H3,(H,21,25)(H,22,24)/t12-/m0/s1
InChIKeyLVHYYAQWGDVDLF-LBPRGKRZSA-N
MW366.37 g/mol
LogP1.73
Rot. Bonds6

About [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate

[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate (PubChem CID 8753386) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate
PubChem CID8753386
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C20H18N2O5/c1-12(21-19(25)13-5-3-2-4-6-13)20(26)27-11-17(23)14-7-8-16-15(9-14)10-18(24)22-16/h2-9,12H,10-11H2,1H3,(H,21,25)(H,22,24)/t12-/m0/s1
InChIKeyLVHYYAQWGDVDLF-LBPRGKRZSA-N
XLogP1.73
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55927240
N-benzhydryl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784603
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (2R)-2-benzamidopropanoate
CID 2593672
[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] 2-benzamidopropanoate
CID 55373885
N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712430
phenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8884992
N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711492
2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide
CID 113237405
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 113429194
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7564059
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2R)-2-[(3-methylbenzoyl)amino]propanoate
CID 39905970
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate (CID 8753386) is [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate is C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate?
The InChIKey is LVHYYAQWGDVDLF-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-12(21-19(25)13-5-3-2-4-6-13)20(26)27-11-17(23)14-7-8-16-15(9-14)10-18(24)22-16/h2-9,12H,10-11H2,1H3,(H,21,25)(H,22,24)/t12-/m0/s1.
What are the key properties of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate?
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate has a molecular weight of 366.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate is sourced from PubChem (CID 8753386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).