N-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)acetamide

C15H20N2O2 — CID 24818415

IUPACN-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)acetamide
SMILESCC(=O)NC(CC(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-12(18)16-14(13-7-3-2-4-8-13)11-15(19)17-9-5-6-10-17/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,16,18)
InChIKeyDBYGRYMQFSHUBK-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.88
Rot. Bonds4

About N-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)acetamide

N-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 24818415) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound NameN-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID24818415
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)acetamide
SMILESCC(=O)NC(CC(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-12(18)16-14(13-7-3-2-4-8-13)11-15(19)17-9-5-6-10-17/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,16,18)
InChIKeyDBYGRYMQFSHUBK-UHFFFAOYSA-N
XLogP1.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of N-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)acetamide (CID 24818415) is N-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for N-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for N-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)acetamide is CC(=O)NC(CC(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of N-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is DBYGRYMQFSHUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12(18)16-14(13-7-3-2-4-8-13)11-15(19)17-9-5-6-10-17/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,16,18).
What are the key properties of N-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)acetamide?
N-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 260.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 24818415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).