2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide

C16H22N2O3 — CID 40896977

IUPAC2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
SMILESCCOCC(=O)NC[C@@H]1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C16H22N2O3/c1-3-21-11-15(19)17-9-13-8-16(20)18(10-13)14-6-4-12(2)5-7-14/h4-7,13H,3,8-11H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyIYUJSJFIXBPGMP-ZDUSSCGKSA-N
MW290.36 g/mol
LogP1.50
Rot. Bonds6

About 2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide

2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide (PubChem CID 40896977) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
PubChem CID40896977
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
SMILESCCOCC(=O)NC[C@@H]1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C16H22N2O3/c1-3-21-11-15(19)17-9-13-8-16(20)18(10-13)14-6-4-12(2)5-7-14/h4-7,13H,3,8-11H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyIYUJSJFIXBPGMP-ZDUSSCGKSA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40876961
2-(4-methoxyphenoxy)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919033
methyl N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 16919084
2-cyclopentyl-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40896961
1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920233
3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 16919082
2-(3-methylphenyl)-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40897451
2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919044
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
3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918987
1-(4-ethoxyphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920193

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide (CID 40896977) is 2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide is CCOCC(=O)NC[C@@H]1CC(=O)N(c2ccc(C)cc2)C1.
What is the InChIKey of 2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The InChIKey is IYUJSJFIXBPGMP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-21-11-15(19)17-9-13-8-16(20)18(10-13)14-6-4-12(2)5-7-14/h4-7,13H,3,8-11H2,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of 2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide has a molecular weight of 290.36 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 40896977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).