2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide

C14H18N2O2 — CID 759775

IUPAC2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCCC1=O)NCCc1ccccc1
InChIInChI=1S/C14H18N2O2/c17-13(11-16-10-4-7-14(16)18)15-9-8-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,15,17)
InChIKeyMGFAUJMDUGNMKL-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.97
Rot. Bonds5

About 2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide

2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide (PubChem CID 759775) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide
PubChem CID759775
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCCC1=O)NCCc1ccccc1
InChIInChI=1S/C14H18N2O2/c17-13(11-16-10-4-7-14(16)18)15-9-8-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,15,17)
InChIKeyMGFAUJMDUGNMKL-UHFFFAOYSA-N
XLogP0.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide (CID 759775) is 2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide is O=C(CN1CCCC1=O)NCCc1ccccc1.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is MGFAUJMDUGNMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-13(11-16-10-4-7-14(16)18)15-9-8-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,15,17).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide?
2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 246.31 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 759775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).