1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one

C13H17NO3 — CID 154478411

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
SMILESCOc1ccc(CN2C(=O)CC2C)c(OC)c1
InChIInChI=1S/C13H17NO3/c1-9-6-13(15)14(9)8-10-4-5-11(16-2)7-12(10)17-3/h4-5,7,9H,6,8H2,1-3H3
InChIKeyUOWHSKLUVSCOBO-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.82
Rot. Bonds4

About 1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one

1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one (PubChem CID 154478411) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
PubChem CID154478411
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
SMILESCOc1ccc(CN2C(=O)CC2C)c(OC)c1
InChIInChI=1S/C13H17NO3/c1-9-6-13(15)14(9)8-10-4-5-11(16-2)7-12(10)17-3/h4-5,7,9H,6,8H2,1-3H3
InChIKeyUOWHSKLUVSCOBO-UHFFFAOYSA-N
XLogP1.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,7aS)-1-[(2,4-dimethoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydroindole-2,6-dione
CID 124567118
(4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3,4-dihydropyridin-2-one
CID 102049603
4-(2-diazoacetyl)-1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one
CID 54501513
(3S,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-3-methylazetidin-2-one
CID 118485372
1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione
CID 64971367
N-[[(3aS,4R,5S,6aR)-1-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]methanesulfonamide
CID 146118451
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 11254461
(5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one
CID 96576993
3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one
CID 3364684
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97032922
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83290643
N-[[(3aS,4R,5S,6aR)-1-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide
CID 146118435

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one (CID 154478411) is 1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one is COc1ccc(CN2C(=O)CC2C)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one?
The InChIKey is UOWHSKLUVSCOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-6-13(15)14(9)8-10-4-5-11(16-2)7-12(10)17-3/h4-5,7,9H,6,8H2,1-3H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one?
1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one has a molecular weight of 235.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one is sourced from PubChem (CID 154478411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).