1-benzyl-4-phenylazetidin-2-one;ethane

C24H39NO — CID 91301101

IUPAC1-benzyl-4-phenylazetidin-2-one;ethane
SMILESCC.CC.CC.CC.O=C1CC(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C16H15NO.4C2H6/c18-16-11-15(14-9-5-2-6-10-14)17(16)12-13-7-3-1-4-8-13;4*1-2/h1-10,15H,11-12H2;4*1-2H3
InChIKeyXPGGGLJAZKUOCV-UHFFFAOYSA-N
MW357.58 g/mol
LogP7.26
Rot. Bonds3

About 1-benzyl-4-phenylazetidin-2-one;ethane

1-benzyl-4-phenylazetidin-2-one;ethane (PubChem CID 91301101) has the molecular formula C24H39NO and a molecular weight of 357.58 g/mol. Its IUPAC name is 1-benzyl-4-phenylazetidin-2-one;ethane.

Molecular Properties

Compound Name1-benzyl-4-phenylazetidin-2-one;ethane
PubChem CID91301101
Molecular FormulaC24H39NO
Molecular Weight357.58 g/mol
Exact Mass357.30
IUPAC Name1-benzyl-4-phenylazetidin-2-one;ethane
SMILESCC.CC.CC.CC.O=C1CC(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C16H15NO.4C2H6/c18-16-11-15(14-9-5-2-6-10-14)17(16)12-13-7-3-1-4-8-13;4*1-2/h1-10,15H,11-12H2;4*1-2H3
InChIKeyXPGGGLJAZKUOCV-UHFFFAOYSA-N
XLogP7.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.58
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-2-phenyl-2,3-dihydroquinolin-4-one
CID 134841606
4-amino-1-benzyl-5-phenylpyrrolidin-2-one
CID 83693774
(3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one
CID 102276897
4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]azetidin-2-one
CID 10924467
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298
1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 4025878
(1R,2R,6S)-3-benzyl-2-phenyl-7-oxa-3-azabicyclo[4.1.0]heptan-4-one
CID 101377362
1-(3-bromobutyl)-4-phenylazetidin-2-one
CID 13048232
5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 173311481
(2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 7784530
(2-oxo-4-phenylazetidin-1-yl)methyl propanoate
CID 10399083
2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid
CID 59370448

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenylazetidin-2-one;ethane?
The IUPAC name of 1-benzyl-4-phenylazetidin-2-one;ethane (CID 91301101) is 1-benzyl-4-phenylazetidin-2-one;ethane.
What is the SMILES notation for 1-benzyl-4-phenylazetidin-2-one;ethane?
The canonical SMILES for 1-benzyl-4-phenylazetidin-2-one;ethane is CC.CC.CC.CC.O=C1CC(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-phenylazetidin-2-one;ethane?
The InChIKey is XPGGGLJAZKUOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO.4C2H6/c18-16-11-15(14-9-5-2-6-10-14)17(16)12-13-7-3-1-4-8-13;4*1-2/h1-10,15H,11-12H2;4*1-2H3.
What are the key properties of 1-benzyl-4-phenylazetidin-2-one;ethane?
1-benzyl-4-phenylazetidin-2-one;ethane has a molecular weight of 357.58 g/mol, XLogP of 7.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenylazetidin-2-one;ethane is sourced from PubChem (CID 91301101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).