1-tert-butyl-3-(4-phenylphenyl)azetidin-2-one

C19H21NO — CID 86092012

IUPAC1-tert-butyl-3-(4-phenylphenyl)azetidin-2-one
SMILESCC(C)(C)N1CC(c2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C19H21NO/c1-19(2,3)20-13-17(18(20)21)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3
InChIKeyISJFHQJWTKSIAB-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.08
Rot. Bonds2

About 1-tert-butyl-3-(4-phenylphenyl)azetidin-2-one

1-tert-butyl-3-(4-phenylphenyl)azetidin-2-one (PubChem CID 86092012) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-phenylphenyl)azetidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(4-phenylphenyl)azetidin-2-one
PubChem CID86092012
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-tert-butyl-3-(4-phenylphenyl)azetidin-2-one
SMILESCC(C)(C)N1CC(c2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C19H21NO/c1-19(2,3)20-13-17(18(20)21)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3
InChIKeyISJFHQJWTKSIAB-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(3R)-3-(4-phenylphenyl)oxane-2,6-dione
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(3R)-3-amino-1-tert-butylazetidin-2-one
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1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-phenylphenyl)azetidin-2-one?
The IUPAC name of 1-tert-butyl-3-(4-phenylphenyl)azetidin-2-one (CID 86092012) is 1-tert-butyl-3-(4-phenylphenyl)azetidin-2-one.
What is the SMILES notation for 1-tert-butyl-3-(4-phenylphenyl)azetidin-2-one?
The canonical SMILES for 1-tert-butyl-3-(4-phenylphenyl)azetidin-2-one is CC(C)(C)N1CC(c2ccc(-c3ccccc3)cc2)C1=O.
What is the InChIKey of 1-tert-butyl-3-(4-phenylphenyl)azetidin-2-one?
The InChIKey is ISJFHQJWTKSIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-19(2,3)20-13-17(18(20)21)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(4-phenylphenyl)azetidin-2-one?
1-tert-butyl-3-(4-phenylphenyl)azetidin-2-one has a molecular weight of 279.38 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-phenylphenyl)azetidin-2-one is sourced from PubChem (CID 86092012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).