3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione

C14H17NO3 — CID 24823446

IUPAC3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione
SMILESCCC1(CC)C(=O)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C14H17NO3/c1-4-14(5-2)12(16)15(13(14)17)10-6-8-11(18-3)9-7-10/h6-9H,4-5H2,1-3H3
InChIKeyYWSGNLPPLKUURH-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.37
Rot. Bonds4

About 3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione

3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione (PubChem CID 24823446) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione
PubChem CID24823446
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione
SMILESCCC1(CC)C(=O)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C14H17NO3/c1-4-14(5-2)12(16)15(13(14)17)10-6-8-11(18-3)9-7-10/h6-9H,4-5H2,1-3H3
InChIKeyYWSGNLPPLKUURH-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-Methoxyphenyl)Acetamide
CID 5827
N-(4-Ethoxyphenyl)-3-oxobutanamide
CID 61053
4'-Methoxyacetoacetanilide
CID 21576
1-(4-Methoxyphenyl)-2,5-pyrrolidinedione
CID 345843
2-Azetidinone, 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenyl-
CID 11033292
1-(4-Methoxyphenyl)-1H-pyrrole-2,5-dione
CID 236788
N-(4-methoxyphenyl)cyclopentanecarboxamide
CID 531886
methacetin-(methoxy-(13)C)
CID 9793926
4'-Methoxybutyranilide
CID 79458
Acetamide, N-(4-methoxyphenyl)-N-methyl-
CID 142032
Propanamide, N-(4-methoxyphenyl)-2-methyl-
CID 225846
N-(4-Methoxyphenyl)-2,2-dimethylpropanamide
CID 521748

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione?
The IUPAC name of 3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione (CID 24823446) is 3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione.
What is the SMILES notation for 3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione?
The canonical SMILES for 3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione is CCC1(CC)C(=O)N(c2ccc(OC)cc2)C1=O.
What is the InChIKey of 3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione?
The InChIKey is YWSGNLPPLKUURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-14(5-2)12(16)15(13(14)17)10-6-8-11(18-3)9-7-10/h6-9H,4-5H2,1-3H3.
What are the key properties of 3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione?
3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione has a molecular weight of 247.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione is sourced from PubChem (CID 24823446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).