2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide

C18H24N2O3 — CID 76868356

IUPAC2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide
SMILESCCC=C(C)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C18H24N2O3/c1-3-7-14(2)18(22)19-15-8-6-9-16(12-15)23-13-17(21)20-10-4-5-11-20/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,19,22)
InChIKeyKJFDIIGCTKLZJR-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.98
Rot. Bonds6

About 2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide

2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide (PubChem CID 76868356) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide
PubChem CID76868356
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide
SMILESCCC=C(C)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C18H24N2O3/c1-3-7-14(2)18(22)19-15-8-6-9-16(12-15)23-13-17(21)20-10-4-5-11-20/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,19,22)
InChIKeyKJFDIIGCTKLZJR-UHFFFAOYSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129
4,4-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 129255718
N-[3-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]phenyl]acetamide
CID 62030068
2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
CID 60530152
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide
CID 119713860
2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone
CID 117097629
(E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide
CID 134119682
2-naphthalen-1-yl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 46461055
5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 120621130
2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride
CID 120588334
5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 34802754
N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 2495335

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide?
The IUPAC name of 2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide (CID 76868356) is 2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide?
The canonical SMILES for 2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide is CCC=C(C)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1.
What is the InChIKey of 2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide?
The InChIKey is KJFDIIGCTKLZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-7-14(2)18(22)19-15-8-6-9-16(12-15)23-13-17(21)20-10-4-5-11-20/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,19,22).
What are the key properties of 2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide?
2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide has a molecular weight of 316.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide is sourced from PubChem (CID 76868356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).