2-[acetyl-(2-oxo-4-phenylpyrrolidin-1-yl)amino]acetamide

C14H17N3O3 — CID 21311674

IUPAC2-[acetyl-(2-oxo-4-phenylpyrrolidin-1-yl)amino]acetamide
SMILESCC(=O)N(CC(N)=O)N1CC(c2ccccc2)CC1=O
InChIInChI=1S/C14H17N3O3/c1-10(18)16(9-13(15)19)17-8-12(7-14(17)20)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H2,15,19)
InChIKeyCWENIYAAFHWSKH-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.25
Rot. Bonds4

About 2-[acetyl-(2-oxo-4-phenylpyrrolidin-1-yl)amino]acetamide

2-[acetyl-(2-oxo-4-phenylpyrrolidin-1-yl)amino]acetamide (PubChem CID 21311674) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[acetyl-(2-oxo-4-phenylpyrrolidin-1-yl)amino]acetamide.

Molecular Properties

Compound Name2-[acetyl-(2-oxo-4-phenylpyrrolidin-1-yl)amino]acetamide
PubChem CID21311674
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[acetyl-(2-oxo-4-phenylpyrrolidin-1-yl)amino]acetamide
SMILESCC(=O)N(CC(N)=O)N1CC(c2ccccc2)CC1=O
InChIInChI=1S/C14H17N3O3/c1-10(18)16(9-13(15)19)17-8-12(7-14(17)20)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H2,15,19)
InChIKeyCWENIYAAFHWSKH-UHFFFAOYSA-N
XLogP0.25
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-(2-oxo-4-phenylpyrrolidin-1-yl)amino]acetamide?
The IUPAC name of 2-[acetyl-(2-oxo-4-phenylpyrrolidin-1-yl)amino]acetamide (CID 21311674) is 2-[acetyl-(2-oxo-4-phenylpyrrolidin-1-yl)amino]acetamide.
What is the SMILES notation for 2-[acetyl-(2-oxo-4-phenylpyrrolidin-1-yl)amino]acetamide?
The canonical SMILES for 2-[acetyl-(2-oxo-4-phenylpyrrolidin-1-yl)amino]acetamide is CC(=O)N(CC(N)=O)N1CC(c2ccccc2)CC1=O.
What is the InChIKey of 2-[acetyl-(2-oxo-4-phenylpyrrolidin-1-yl)amino]acetamide?
The InChIKey is CWENIYAAFHWSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10(18)16(9-13(15)19)17-8-12(7-14(17)20)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H2,15,19).
What are the key properties of 2-[acetyl-(2-oxo-4-phenylpyrrolidin-1-yl)amino]acetamide?
2-[acetyl-(2-oxo-4-phenylpyrrolidin-1-yl)amino]acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-(2-oxo-4-phenylpyrrolidin-1-yl)amino]acetamide is sourced from PubChem (CID 21311674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).