N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C15H20N2O2 — CID 91751999

IUPACN-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCC1)Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-13(18)17(11-14-7-3-2-4-8-14)12-15(19)16-9-5-6-10-16/h2-4,7-8H,5-6,9-12H2,1H3
InChIKeyWCBMPKHDDLDDEO-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.66
Rot. Bonds4

About N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 91751999) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID91751999
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCC1)Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-13(18)17(11-14-7-3-2-4-8-14)12-15(19)16-9-5-6-10-16/h2-4,7-8H,5-6,9-12H2,1H3
InChIKeyWCBMPKHDDLDDEO-UHFFFAOYSA-N
XLogP1.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tebutam
CID 92299
1-(Phenylmethyl)-2,5-pyrrolidinedione
CID 95241
Benzylmaleimide
CID 74204
1-Benzyl-3-pyrrolidone
CID 79176
2,4-Imidazolidinedione, 3-(phenylmethyl)-
CID 231959
1-Benzylimidazolidine-2,4,5-trione
CID 562619
Acetamide, N,N-bis(phenylmethyl)-
CID 82657
Acetamide, N-benzyl-2-(1-pyrrolidinyl)-, hydrochloride
CID 2959243
N,N'-Dibenzyloxamide
CID 219253
Smac peptido-mimetic 1
CID 11200722
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164
4-Benzylpiperazine-2,6-dione
CID 560967

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 91751999) is N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is CC(=O)N(CC(=O)N1CCCC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is WCBMPKHDDLDDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-13(18)17(11-14-7-3-2-4-8-14)12-15(19)16-9-5-6-10-16/h2-4,7-8H,5-6,9-12H2,1H3.
What are the key properties of N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 260.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 91751999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).