3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide

C16H20N2O2 — CID 30875155

IUPAC3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide
SMILESCC(C)=CC(=O)Nc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C16H20N2O2/c1-12(2)9-15(19)17-14-6-3-5-13(10-14)11-18-8-4-7-16(18)20/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,17,19)
InChIKeyLCWWYRFCBPCCMU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.71
Rot. Bonds4

About 3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide

3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide (PubChem CID 30875155) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide
PubChem CID30875155
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide
SMILESCC(C)=CC(=O)Nc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C16H20N2O2/c1-12(2)9-15(19)17-14-6-3-5-13(10-14)11-18-8-4-7-16(18)20/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,17,19)
InChIKeyLCWWYRFCBPCCMU-UHFFFAOYSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide
CID 37359459
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 55911786
2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119309661
1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 49470702
1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 94784827
N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide
CID 43601289
[2-formyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]boronic acid
CID 166430535
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide
CID 46600220
3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
CID 49360216
1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 128960283
3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
CID 55651425
N-[1-oxo-1-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propan-2-yl]cyclopentanecarboxamide
CID 51119825

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide?
The IUPAC name of 3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide (CID 30875155) is 3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide.
What is the SMILES notation for 3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide?
The canonical SMILES for 3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide is CC(C)=CC(=O)Nc1cccc(CN2CCCC2=O)c1.
What is the InChIKey of 3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide?
The InChIKey is LCWWYRFCBPCCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(2)9-15(19)17-14-6-3-5-13(10-14)11-18-8-4-7-16(18)20/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,17,19).
What are the key properties of 3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide?
3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide has a molecular weight of 272.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide is sourced from PubChem (CID 30875155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).