4-(3,4-diethoxyphenyl)azetidin-2-one

C13H17NO3 — CID 131885056

IUPAC4-(3,4-diethoxyphenyl)azetidin-2-one
SMILESCCOc1ccc(C2CC(=O)N2)cc1OCC
InChIInChI=1S/C13H17NO3/c1-3-16-11-6-5-9(7-12(11)17-4-2)10-8-13(15)14-10/h5-7,10H,3-4,8H2,1-2H3,(H,14,15)
InChIKeySHUZLMFGOICQPT-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.05
Rot. Bonds5

About 4-(3,4-diethoxyphenyl)azetidin-2-one

4-(3,4-diethoxyphenyl)azetidin-2-one (PubChem CID 131885056) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(3,4-diethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name4-(3,4-diethoxyphenyl)azetidin-2-one
PubChem CID131885056
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(3,4-diethoxyphenyl)azetidin-2-one
SMILESCCOc1ccc(C2CC(=O)N2)cc1OCC
InChIInChI=1S/C13H17NO3/c1-3-16-11-6-5-9(7-12(11)17-4-2)10-8-13(15)14-10/h5-7,10H,3-4,8H2,1-2H3,(H,14,15)
InChIKeySHUZLMFGOICQPT-UHFFFAOYSA-N
XLogP2.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 64667069
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
(4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one
CID 53237458
(2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine
CID 55263976
(4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184614
2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide
CID 110532677
(4S)-4-(3,4-diethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413516
2-(3-chloro-4-ethoxyphenyl)aziridine
CID 82469286
4-(3,4-diethoxyphenyl)cyclohexan-1-ol
CID 116989261
3-(3,4-diethoxyphenyl)-1-methylpiperazine
CID 116989258
(4S)-4-(3-ethoxy-4-hydroxyphenyl)imidazolidin-2-one
CID 131349347
4-[(2R)-azetidin-2-yl]-2-ethoxyphenol
CID 131080980

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diethoxyphenyl)azetidin-2-one?
The IUPAC name of 4-(3,4-diethoxyphenyl)azetidin-2-one (CID 131885056) is 4-(3,4-diethoxyphenyl)azetidin-2-one.
What is the SMILES notation for 4-(3,4-diethoxyphenyl)azetidin-2-one?
The canonical SMILES for 4-(3,4-diethoxyphenyl)azetidin-2-one is CCOc1ccc(C2CC(=O)N2)cc1OCC.
What is the InChIKey of 4-(3,4-diethoxyphenyl)azetidin-2-one?
The InChIKey is SHUZLMFGOICQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-16-11-6-5-9(7-12(11)17-4-2)10-8-13(15)14-10/h5-7,10H,3-4,8H2,1-2H3,(H,14,15).
What are the key properties of 4-(3,4-diethoxyphenyl)azetidin-2-one?
4-(3,4-diethoxyphenyl)azetidin-2-one has a molecular weight of 235.28 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 131885056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).