3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one

C12H16N2O2 — CID 112757927

IUPAC3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one
SMILESCCOc1ccc(N2C(=O)C(N)C2C)cc1
InChIInChI=1S/C12H16N2O2/c1-3-16-10-6-4-9(5-7-10)14-8(2)11(13)12(14)15/h4-8,11H,3,13H2,1-2H3
InChIKeyDXSRNPGUNMTMDU-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.15
Rot. Bonds3

About 3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one

3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one (PubChem CID 112757927) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one.

Molecular Properties

Compound Name3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one
PubChem CID112757927
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one
SMILESCCOc1ccc(N2C(=O)C(N)C2C)cc1
InChIInChI=1S/C12H16N2O2/c1-3-16-10-6-4-9(5-7-10)14-8(2)11(13)12(14)15/h4-8,11H,3,13H2,1-2H3
InChIKeyDXSRNPGUNMTMDU-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 124504187
(3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504213
(3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one
CID 124504219
(3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504230
(3S,4R)-3-amino-4-(1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504201
1-(4-ethoxyphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
CID 117021917
(3aR,7aR)-2-(4-ethoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 872279
2-(4-ethoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2853944
(3aS,7aR)-2-(4-ethoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7032574
(3aR,4S,7R,7aR)-2-(4-ethoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98171061
2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one
CID 5309890
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7198359

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one?
The IUPAC name of 3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one (CID 112757927) is 3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one.
What is the SMILES notation for 3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one?
The canonical SMILES for 3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one is CCOc1ccc(N2C(=O)C(N)C2C)cc1.
What is the InChIKey of 3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one?
The InChIKey is DXSRNPGUNMTMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-16-10-6-4-9(5-7-10)14-8(2)11(13)12(14)15/h4-8,11H,3,13H2,1-2H3.
What are the key properties of 3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one?
3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one is sourced from PubChem (CID 112757927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).