3-ethyl-4-methyl-1,4-diphenylazetidin-2-one

C18H19NO — CID 135025693

IUPAC3-ethyl-4-methyl-1,4-diphenylazetidin-2-one
SMILESCCC1C(=O)N(c2ccccc2)C1(C)c1ccccc1
InChIInChI=1S/C18H19NO/c1-3-16-17(20)19(15-12-8-5-9-13-15)18(16,2)14-10-6-4-7-11-14/h4-13,16H,3H2,1-2H3
InChIKeyPULNSTOJTNCKKQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.97
Rot. Bonds3

About 3-ethyl-4-methyl-1,4-diphenylazetidin-2-one

3-ethyl-4-methyl-1,4-diphenylazetidin-2-one (PubChem CID 135025693) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-ethyl-4-methyl-1,4-diphenylazetidin-2-one.

Molecular Properties

Compound Name3-ethyl-4-methyl-1,4-diphenylazetidin-2-one
PubChem CID135025693
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-ethyl-4-methyl-1,4-diphenylazetidin-2-one
SMILESCCC1C(=O)N(c2ccccc2)C1(C)c1ccccc1
InChIInChI=1S/C18H19NO/c1-3-16-17(20)19(15-12-8-5-9-13-15)18(16,2)14-10-6-4-7-11-14/h4-13,16H,3H2,1-2H3
InChIKeyPULNSTOJTNCKKQ-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethyl 2-(1H-benzimidazol-2-yl)-3-ethyl-4-oxo-1-phenylazetidine-2-carboxylate
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(5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione
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(2S,6S,8R,12S)-13-methyl-1,4,7,10-tetraphenyl-4,10-diaza-13-azoniatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone
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(4R)-3-diethoxyphosphoryl-4-methyl-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one
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3-ethyl-4-hydroxy-3,5,5-trimethyl-1-phenylpiperazin-2-one
CID 70644597
10-oxo-1,4,7,8,9-pentakis-phenyl-10-propan-2-yl-4-aza-10λ5-phosphatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-1,4-diphenylazetidin-2-one?
The IUPAC name of 3-ethyl-4-methyl-1,4-diphenylazetidin-2-one (CID 135025693) is 3-ethyl-4-methyl-1,4-diphenylazetidin-2-one.
What is the SMILES notation for 3-ethyl-4-methyl-1,4-diphenylazetidin-2-one?
The canonical SMILES for 3-ethyl-4-methyl-1,4-diphenylazetidin-2-one is CCC1C(=O)N(c2ccccc2)C1(C)c1ccccc1.
What is the InChIKey of 3-ethyl-4-methyl-1,4-diphenylazetidin-2-one?
The InChIKey is PULNSTOJTNCKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-16-17(20)19(15-12-8-5-9-13-15)18(16,2)14-10-6-4-7-11-14/h4-13,16H,3H2,1-2H3.
What are the key properties of 3-ethyl-4-methyl-1,4-diphenylazetidin-2-one?
3-ethyl-4-methyl-1,4-diphenylazetidin-2-one has a molecular weight of 265.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-1,4-diphenylazetidin-2-one is sourced from PubChem (CID 135025693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).