1-[2-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one

C24H28N2O3 — CID 26329319

IUPAC1-[2-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H28N2O3/c27-23-12-7-13-25(23)18-24(28)26-14-15-29-21(17-26)16-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21-22H,7,12-18H2/t21-/m0/s1
InChIKeyFUICSCUASBABHM-NRFANRHFSA-N
MW392.50 g/mol
LogP3.06
Rot. Bonds6

About 1-[2-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 26329319) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[2-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID26329319
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-[2-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H28N2O3/c27-23-12-7-13-25(23)18-24(28)26-14-15-29-21(17-26)16-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21-22H,7,12-18H2/t21-/m0/s1
InChIKeyFUICSCUASBABHM-NRFANRHFSA-N
XLogP3.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one (CID 26329319) is 1-[2-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-[2-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is FUICSCUASBABHM-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-23-12-7-13-25(23)18-24(28)26-14-15-29-21(17-26)16-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21-22H,7,12-18H2/t21-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 392.50 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 26329319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).