2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide

C16H18N2O3 — CID 134421748

IUPAC2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1
InChIInChI=1S/C16H18N2O3/c1-11(2)16(21)17-13-6-3-12(4-7-13)5-8-14(19)18-10-9-15(18)20/h3-4,6-7H,1,5,8-10H2,2H3,(H,17,21)
InChIKeyAULWYCWUZYKAKV-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.89
Rot. Bonds5

About 2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide

2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide (PubChem CID 134421748) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide
PubChem CID134421748
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1
InChIInChI=1S/C16H18N2O3/c1-11(2)16(21)17-13-6-3-12(4-7-13)5-8-14(19)18-10-9-15(18)20/h3-4,6-7H,1,5,8-10H2,2H3,(H,17,21)
InChIKeyAULWYCWUZYKAKV-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.89
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-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propanamide
CID 134421789
1-(4-acetylphenyl)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]triazole-4-carboxamide
CID 59137668
N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide
CID 123319122
(2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate
CID 123379665
N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide
CID 163498903
1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one
CID 102373052
1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one
CID 101318471
2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid
CID 71616718
N-(4-dodecylphenyl)-2-methylprop-2-enamide
CID 58819798
2-[2-oxo-2-[4-[6-oxo-6-(2-oxoazetidin-1-yl)hexyl]anilino]ethoxy]acetic acid
CID 71616719
N-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide
CID 166421996
ethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide
CID 143668150

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide (CID 134421748) is 2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide is C=C(C)C(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1.
What is the InChIKey of 2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide?
The InChIKey is AULWYCWUZYKAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(2)16(21)17-13-6-3-12(4-7-13)5-8-14(19)18-10-9-15(18)20/h3-4,6-7H,1,5,8-10H2,2H3,(H,17,21).
What are the key properties of 2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide?
2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide has a molecular weight of 286.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide is sourced from PubChem (CID 134421748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).