2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide

C13H16N2O3 — CID 142761083

IUPAC2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
SMILESCOc1ccc(N2CCC(CC(N)=O)C2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-18-11-4-2-10(3-5-11)15-7-6-9(13(15)17)8-12(14)16/h2-5,9H,6-8H2,1H3,(H2,14,16)
InChIKeyPDDAWOOKOKRZGP-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.92
Rot. Bonds4

About 2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide

2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 142761083) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
PubChem CID142761083
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
SMILESCOc1ccc(N2CCC(CC(N)=O)C2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-18-11-4-2-10(3-5-11)15-7-6-9(13(15)17)8-12(14)16/h2-5,9H,6-8H2,1H3,(H2,14,16)
InChIKeyPDDAWOOKOKRZGP-UHFFFAOYSA-N
XLogP0.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid
CID 115039420
N-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42863344
(3R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 93331110
3-[[2-[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoic acid
CID 70279078
3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one
CID 166437081
2-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]acetic acid
CID 19697197
6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one
CID 117010770
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
3-[[2-[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]acetyl]amino]-3-(4-methoxyphenyl)pentanoic acid
CID 70120318
4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234404
N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide
CID 91911271

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide (CID 142761083) is 2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide is COc1ccc(N2CCC(CC(N)=O)C2=O)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is PDDAWOOKOKRZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-11-4-2-10(3-5-11)15-7-6-9(13(15)17)8-12(14)16/h2-5,9H,6-8H2,1H3,(H2,14,16).
What are the key properties of 2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide?
2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 248.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 142761083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).