1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one

C31H29NO — CID 156769472

IUPAC1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one
SMILESCC(C)(C)c1ccc(N2C(=O)C(c3ccccc3)(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C31H29NO/c1-30(2,3)24-19-21-27(22-20-24)32-28(23-13-7-4-8-14-23)31(29(32)33,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-22,28H,1-3H3
InChIKeyGURZGSOYPDMOCT-UHFFFAOYSA-N
MW431.58 g/mol
LogP7.06
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one

1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one (PubChem CID 156769472) has the molecular formula C31H29NO and a molecular weight of 431.58 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one
PubChem CID156769472
Molecular FormulaC31H29NO
Molecular Weight431.58 g/mol
Exact Mass431.22
IUPAC Name1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one
SMILESCC(C)(C)c1ccc(N2C(=O)C(c3ccccc3)(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C31H29NO/c1-30(2,3)24-19-21-27(22-20-24)32-28(23-13-7-4-8-14-23)31(29(32)33,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-22,28H,1-3H3
InChIKeyGURZGSOYPDMOCT-UHFFFAOYSA-N
XLogP7.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one
CID 156769473
(3R,4R)-3-methylsulfanyl-1,3,4-triphenylazetidin-2-one
CID 162406085
(3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one
CID 101377404
(3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one
CID 15419094
1,4-diphenyl-3,3-dipropylazetidin-2-one
CID 70304268
4-methyl-1,4-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 177455156
1-(4-tert-butylphenyl)-2-phenylaziridine
CID 24756001
(1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 44570932
tert-butyl 3-chloro-2-oxo-1,4-diphenylazetidine-3-carboxylate
CID 602670
(3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one
CID 102160186
(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 7659372
methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate
CID 102070722

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one?
The IUPAC name of 1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one (CID 156769472) is 1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one?
The canonical SMILES for 1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one is CC(C)(C)c1ccc(N2C(=O)C(c3ccccc3)(c3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one?
The InChIKey is GURZGSOYPDMOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO/c1-30(2,3)24-19-21-27(22-20-24)32-28(23-13-7-4-8-14-23)31(29(32)33,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-22,28H,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one?
1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one has a molecular weight of 431.58 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one is sourced from PubChem (CID 156769472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).