3-cyclopentyl-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide

C21H30N2O3 — CID 16918501

IUPAC3-cyclopentyl-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
SMILESCCOc1ccc(N2CC(CNC(=O)CCC3CCCC3)CC2=O)cc1
InChIInChI=1S/C21H30N2O3/c1-2-26-19-10-8-18(9-11-19)23-15-17(13-21(23)25)14-22-20(24)12-7-16-5-3-4-6-16/h8-11,16-17H,2-7,12-15H2,1H3,(H,22,24)
InChIKeyWQFKKAGQKMPHNH-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.52
Rot. Bonds8

About 3-cyclopentyl-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide

3-cyclopentyl-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide (PubChem CID 16918501) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 3-cyclopentyl-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
PubChem CID16918501
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name3-cyclopentyl-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
SMILESCCOc1ccc(N2CC(CNC(=O)CCC3CCCC3)CC2=O)cc1
InChIInChI=1S/C21H30N2O3/c1-2-26-19-10-8-18(9-11-19)23-15-17(13-21(23)25)14-22-20(24)12-7-16-5-3-4-6-16/h8-11,16-17H,2-7,12-15H2,1H3,(H,22,24)
InChIKeyWQFKKAGQKMPHNH-UHFFFAOYSA-N
XLogP3.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 16918197
2-ethoxy-N-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40876961
1-cyclohexyl-3-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40912999
2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16918426
N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 16918577
4-ethoxy-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918523
1-benzyl-3-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913063
1-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)urea
CID 40913025
1-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)urea
CID 16920029
1-(4-ethoxyphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920193
2-cyclopentyl-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40896961
1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea
CID 40913019

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide (CID 16918501) is 3-cyclopentyl-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide is CCOc1ccc(N2CC(CNC(=O)CCC3CCCC3)CC2=O)cc1.
What is the InChIKey of 3-cyclopentyl-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide?
The InChIKey is WQFKKAGQKMPHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-2-26-19-10-8-18(9-11-19)23-15-17(13-21(23)25)14-22-20(24)12-7-16-5-3-4-6-16/h8-11,16-17H,2-7,12-15H2,1H3,(H,22,24).
What are the key properties of 3-cyclopentyl-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide?
3-cyclopentyl-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide has a molecular weight of 358.48 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 16918501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).