4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one

C21H22N2O4 — CID 113190755

IUPAC4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2Oc2ccccc2)C1)N1CCOCC1
InChIInChI=1S/C21H22N2O4/c24-20-14-16(21(25)22-10-12-26-13-11-22)15-23(20)18-8-4-5-9-19(18)27-17-6-2-1-3-7-17/h1-9,16H,10-15H2
InChIKeyFJKSBWOGQZLWQG-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.69
Rot. Bonds4

About 4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one

4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one (PubChem CID 113190755) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one
PubChem CID113190755
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2Oc2ccccc2)C1)N1CCOCC1
InChIInChI=1S/C21H22N2O4/c24-20-14-16(21(25)22-10-12-26-13-11-22)15-23(20)18-8-4-5-9-19(18)27-17-6-2-1-3-7-17/h1-9,16H,10-15H2
InChIKeyFJKSBWOGQZLWQG-UHFFFAOYSA-N
XLogP2.69
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one (CID 113190755) is 4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccccc2Oc2ccccc2)C1)N1CCOCC1.
What is the InChIKey of 4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one?
The InChIKey is FJKSBWOGQZLWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-20-14-16(21(25)22-10-12-26-13-11-22)15-23(20)18-8-4-5-9-19(18)27-17-6-2-1-3-7-17/h1-9,16H,10-15H2.
What are the key properties of 4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one?
4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one has a molecular weight of 366.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 113190755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).