N-[3-(4-oxoazetidin-2-yl)oxyphenyl]prop-2-enamide

C12H12N2O3 — CID 167841322

IUPACN-[3-(4-oxoazetidin-2-yl)oxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(OC2CC(=O)N2)c1
InChIInChI=1S/C12H12N2O3/c1-2-10(15)13-8-4-3-5-9(6-8)17-12-7-11(16)14-12/h2-6,12H,1,7H2,(H,13,15)(H,14,16)
InChIKeyGZUAZMVHZSBUEN-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.04
Rot. Bonds4

About N-[3-(4-oxoazetidin-2-yl)oxyphenyl]prop-2-enamide

N-[3-(4-oxoazetidin-2-yl)oxyphenyl]prop-2-enamide (PubChem CID 167841322) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[3-(4-oxoazetidin-2-yl)oxyphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(4-oxoazetidin-2-yl)oxyphenyl]prop-2-enamide
PubChem CID167841322
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-[3-(4-oxoazetidin-2-yl)oxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(OC2CC(=O)N2)c1
InChIInChI=1S/C12H12N2O3/c1-2-10(15)13-8-4-3-5-9(6-8)17-12-7-11(16)14-12/h2-6,12H,1,7H2,(H,13,15)(H,14,16)
InChIKeyGZUAZMVHZSBUEN-UHFFFAOYSA-N
XLogP1.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
N-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide
CID 89411116
N-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687895
N-(3-tert-butylphenyl)prop-2-enamide
CID 59788882
4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 55564049
N-[3-(azetidin-3-yloxy)phenyl]acetamide
CID 53410782
(E)-3-(4-chlorophenyl)-N-[3-(oxan-2-yloxy)phenyl]prop-2-enamide
CID 146312382
N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide
CID 166924916
N-[3-[[7-[2-(cyclobutylamino)-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]phenyl]prop-2-enamide
CID 118641500
N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119303115
N-[3-(cyclohexylsulfinylmethyl)phenyl]prop-2-enamide
CID 166405123

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-oxoazetidin-2-yl)oxyphenyl]prop-2-enamide?
The IUPAC name of N-[3-(4-oxoazetidin-2-yl)oxyphenyl]prop-2-enamide (CID 167841322) is N-[3-(4-oxoazetidin-2-yl)oxyphenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(4-oxoazetidin-2-yl)oxyphenyl]prop-2-enamide?
The canonical SMILES for N-[3-(4-oxoazetidin-2-yl)oxyphenyl]prop-2-enamide is C=CC(=O)Nc1cccc(OC2CC(=O)N2)c1.
What is the InChIKey of N-[3-(4-oxoazetidin-2-yl)oxyphenyl]prop-2-enamide?
The InChIKey is GZUAZMVHZSBUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-10(15)13-8-4-3-5-9(6-8)17-12-7-11(16)14-12/h2-6,12H,1,7H2,(H,13,15)(H,14,16).
What are the key properties of N-[3-(4-oxoazetidin-2-yl)oxyphenyl]prop-2-enamide?
N-[3-(4-oxoazetidin-2-yl)oxyphenyl]prop-2-enamide has a molecular weight of 232.24 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-oxoazetidin-2-yl)oxyphenyl]prop-2-enamide is sourced from PubChem (CID 167841322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).