[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate

C27H26N2O4 — CID 2342367

IUPAC[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
SMILESC[C@@H]1Cc2ccccc2N1C(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C27H26N2O4/c1-19-16-22-14-8-9-15-24(22)29(19)25(30)18-33-27(32)23(17-20-10-4-2-5-11-20)28-26(31)21-12-6-3-7-13-21/h2-15,19,23H,16-18H2,1H3,(H,28,31)/t19-,23-/m1/s1
InChIKeyMJMCYCRURMKAOI-AUSIDOKSSA-N
MW442.52 g/mol
LogP3.55
Rot. Bonds7

About [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate

[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate (PubChem CID 2342367) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
PubChem CID2342367
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
SMILESC[C@@H]1Cc2ccccc2N1C(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C27H26N2O4/c1-19-16-22-14-8-9-15-24(22)29(19)25(30)18-33-27(32)23(17-20-10-4-2-5-11-20)28-26(31)21-12-6-3-7-13-21/h2-15,19,23H,16-18H2,1H3,(H,28,31)/t19-,23-/m1/s1
InChIKeyMJMCYCRURMKAOI-AUSIDOKSSA-N
XLogP3.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate?
The IUPAC name of [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate (CID 2342367) is [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate.
What is the SMILES notation for [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate?
The canonical SMILES for [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate is C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate?
The InChIKey is MJMCYCRURMKAOI-AUSIDOKSSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-19-16-22-14-8-9-15-24(22)29(19)25(30)18-33-27(32)23(17-20-10-4-2-5-11-20)28-26(31)21-12-6-3-7-13-21/h2-15,19,23H,16-18H2,1H3,(H,28,31)/t19-,23-/m1/s1.
What are the key properties of [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate?
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate has a molecular weight of 442.52 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 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] (2R)-2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 2342367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).