3-(2-morpholin-4-ylphenyl)-N-(5-oxopyrrolidin-3-yl)propanamide

C17H23N3O3 — CID 166244378

IUPAC3-(2-morpholin-4-ylphenyl)-N-(5-oxopyrrolidin-3-yl)propanamide
SMILESO=C1CC(NC(=O)CCc2ccccc2N2CCOCC2)CN1
InChIInChI=1S/C17H23N3O3/c21-16(19-14-11-17(22)18-12-14)6-5-13-3-1-2-4-15(13)20-7-9-23-10-8-20/h1-4,14H,5-12H2,(H,18,22)(H,19,21)
InChIKeyAIBRWESCZQZHNC-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.46
Rot. Bonds5

About 3-(2-morpholin-4-ylphenyl)-N-(5-oxopyrrolidin-3-yl)propanamide

3-(2-morpholin-4-ylphenyl)-N-(5-oxopyrrolidin-3-yl)propanamide (PubChem CID 166244378) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylphenyl)-N-(5-oxopyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-morpholin-4-ylphenyl)-N-(5-oxopyrrolidin-3-yl)propanamide
PubChem CID166244378
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-(2-morpholin-4-ylphenyl)-N-(5-oxopyrrolidin-3-yl)propanamide
SMILESO=C1CC(NC(=O)CCc2ccccc2N2CCOCC2)CN1
InChIInChI=1S/C17H23N3O3/c21-16(19-14-11-17(22)18-12-14)6-5-13-3-1-2-4-15(13)20-7-9-23-10-8-20/h1-4,14H,5-12H2,(H,18,22)(H,19,21)
InChIKeyAIBRWESCZQZHNC-UHFFFAOYSA-N
XLogP0.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylphenyl)-N-(5-oxopyrrolidin-3-yl)propanamide?
The IUPAC name of 3-(2-morpholin-4-ylphenyl)-N-(5-oxopyrrolidin-3-yl)propanamide (CID 166244378) is 3-(2-morpholin-4-ylphenyl)-N-(5-oxopyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-(2-morpholin-4-ylphenyl)-N-(5-oxopyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-(2-morpholin-4-ylphenyl)-N-(5-oxopyrrolidin-3-yl)propanamide is O=C1CC(NC(=O)CCc2ccccc2N2CCOCC2)CN1.
What is the InChIKey of 3-(2-morpholin-4-ylphenyl)-N-(5-oxopyrrolidin-3-yl)propanamide?
The InChIKey is AIBRWESCZQZHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16(19-14-11-17(22)18-12-14)6-5-13-3-1-2-4-15(13)20-7-9-23-10-8-20/h1-4,14H,5-12H2,(H,18,22)(H,19,21).
What are the key properties of 3-(2-morpholin-4-ylphenyl)-N-(5-oxopyrrolidin-3-yl)propanamide?
3-(2-morpholin-4-ylphenyl)-N-(5-oxopyrrolidin-3-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylphenyl)-N-(5-oxopyrrolidin-3-yl)propanamide is sourced from PubChem (CID 166244378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).