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

C15H18N2O3 — CID 168684034

IUPACN-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-methoxyphenyl]acetamide
SMILESC=CC1CC(=O)N(c2cc(OC)ccc2NC(C)=O)C1
InChIInChI=1S/C15H18N2O3/c1-4-11-7-15(19)17(9-11)14-8-12(20-3)5-6-13(14)16-10(2)18/h4-6,8,11H,1,7,9H2,2-3H3,(H,16,18)
InChIKeyINWMPPBRWRQVGU-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.19
Rot. Bonds4

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

N-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-methoxyphenyl]acetamide (PubChem CID 168684034) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-methoxyphenyl]acetamide
PubChem CID168684034
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-methoxyphenyl]acetamide
SMILESC=CC1CC(=O)N(c2cc(OC)ccc2NC(C)=O)C1
InChIInChI=1S/C15H18N2O3/c1-4-11-7-15(19)17(9-11)14-8-12(20-3)5-6-13(14)16-10(2)18/h4-6,8,11H,1,7,9H2,2-3H3,(H,16,18)
InChIKeyINWMPPBRWRQVGU-UHFFFAOYSA-N
XLogP2.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-methoxy-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]phenyl]acetamide
CID 168680711
N-[4-chloro-3-(4-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 168684027
4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one
CID 168684306
methyl 1-(2-acetamido-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693037
methyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate
CID 168684357
1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690527
4-ethenyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168684485
[1-[5-methoxy-2-(propanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675257
1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684671
1-(4-bromo-2-methoxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168684449
methyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-2,6-difluorobenzoate
CID 168684318
methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693752

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-methoxyphenyl]acetamide?
The IUPAC name of N-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-methoxyphenyl]acetamide (CID 168684034) is N-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-methoxyphenyl]acetamide is C=CC1CC(=O)N(c2cc(OC)ccc2NC(C)=O)C1.
What is the InChIKey of N-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-methoxyphenyl]acetamide?
The InChIKey is INWMPPBRWRQVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-11-7-15(19)17(9-11)14-8-12(20-3)5-6-13(14)16-10(2)18/h4-6,8,11H,1,7,9H2,2-3H3,(H,16,18).
What are the key properties of N-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-methoxyphenyl]acetamide?
N-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-methoxyphenyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 168684034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).