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

C16H20N2O3 — CID 134421789

IUPAC2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-11(2)16(21)17-13-6-3-12(4-7-13)5-8-14(19)18-10-9-15(18)20/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,21)
InChIKeyUMXZZFWPDKOJCL-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.97
Rot. Bonds5

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

2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propanamide (PubChem CID 134421789) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propanamide
PubChem CID134421789
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-11(2)16(21)17-13-6-3-12(4-7-13)5-8-14(19)18-10-9-15(18)20/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,21)
InChIKeyUMXZZFWPDKOJCL-UHFFFAOYSA-N
XLogP1.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide
CID 134421748
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-methylpropanamide
CID 35341089
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
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
(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride
CID 119303606
1-(4-acetylphenyl)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]triazole-4-carboxamide
CID 59137668
2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid
CID 71616718
2-[2-oxo-2-[4-[6-oxo-6-(2-oxoazetidin-1-yl)hexyl]anilino]ethoxy]acetic acid
CID 71616719

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propanamide (CID 134421789) is 2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propanamide is CC(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]propanamide?
The InChIKey is UMXZZFWPDKOJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(2)16(21)17-13-6-3-12(4-7-13)5-8-14(19)18-10-9-15(18)20/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,21).
What are the key properties of 2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propanamide?
2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propanamide has a molecular weight of 288.35 g/mol, XLogP of 1.97, 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]propanamide is sourced from PubChem (CID 134421789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).