N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide

C21H24N2O3 — CID 16919339

IUPACN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C21H24N2O3/c1-16-7-5-6-10-19(16)26-15-20(24)22-12-18-11-21(25)23(14-18)13-17-8-3-2-4-9-17/h2-10,18H,11-15H2,1H3,(H,22,24)
InChIKeyHDJSFKLFYMKBMS-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.54
Rot. Bonds7

About N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide (PubChem CID 16919339) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide
PubChem CID16919339
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C21H24N2O3/c1-16-7-5-6-10-19(16)26-15-20(24)22-12-18-11-21(25)23(14-18)13-17-8-3-2-4-9-17/h2-10,18H,11-15H2,1H3,(H,22,24)
InChIKeyHDJSFKLFYMKBMS-UHFFFAOYSA-N
XLogP2.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 40895865
2-(4-methylphenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640198
N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-2-methoxyacetamide
CID 40911335
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919418
benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
CID 16919390
2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640187
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 97060537
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2,4-dimethoxybenzamide
CID 16919286
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16919255

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide (CID 16919339) is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NCC1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is HDJSFKLFYMKBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16-7-5-6-10-19(16)26-15-20(24)22-12-18-11-21(25)23(14-18)13-17-8-3-2-4-9-17/h2-10,18H,11-15H2,1H3,(H,22,24).
What are the key properties of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide?
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 352.43 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 16919339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).