N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide

C16H22N2O2 — CID 79547063

IUPACN-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
SMILESCC(=O)CC1CCCN1CC(=O)NCc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-13(19)10-15-8-5-9-18(15)12-16(20)17-11-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3,(H,17,20)
InChIKeyVSOVAHDFWKSSDP-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.75
Rot. Bonds6

About N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide

N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide (PubChem CID 79547063) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
PubChem CID79547063
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
SMILESCC(=O)CC1CCCN1CC(=O)NCc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-13(19)10-15-8-5-9-18(15)12-16(20)17-11-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3,(H,17,20)
InChIKeyVSOVAHDFWKSSDP-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride
CID 119927076
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249994
N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 100842720
(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75482539
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide
CID 11930936
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide
CID 80507204
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 110921460
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119928642
2-(2-benzylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 42888028
N-(2-methoxyethyl)-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546583
N-[(4-fluorophenyl)methyl]-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456048

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide (CID 79547063) is N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide is CC(=O)CC1CCCN1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide?
The InChIKey is VSOVAHDFWKSSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13(19)10-15-8-5-9-18(15)12-16(20)17-11-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3,(H,17,20).
What are the key properties of N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide?
N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide has a molecular weight of 274.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 79547063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).