(3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one

C19H21NO — CID 135070728

IUPAC(3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one
SMILESCC(C)(C)N1C(=O)[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H21NO/c1-19(2,3)20-17(15-12-8-5-9-13-15)16(18(20)21)14-10-6-4-7-11-14/h4-13,16-17H,1-3H3/t16-,17-/m1/s1
InChIKeyXYWVUAPFXWBRTO-IAGOWNOFSA-N
MW279.38 g/mol
LogP4.15
Rot. Bonds2

About (3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one

(3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one (PubChem CID 135070728) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one
PubChem CID135070728
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one
SMILESCC(C)(C)N1C(=O)[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H21NO/c1-19(2,3)20-17(15-12-8-5-9-13-15)16(18(20)21)14-10-6-4-7-11-14/h4-13,16-17H,1-3H3/t16-,17-/m1/s1
InChIKeyXYWVUAPFXWBRTO-IAGOWNOFSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102287455
(3R,4S)-1-methyl-3,4-diphenylazetidin-2-one
CID 122372873
1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione
CID 102410178
(3S,4S)-1-tert-butyl-4-(4-chlorophenyl)-3-methylazetidin-2-one
CID 11288191
1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one
CID 14925845
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
1-tert-butyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 64955154
(3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one
CID 71385795
(3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one
CID 14984605
cis-(2S,3S)-3-tert-butyl-2-phenylcyclobutan-1-one
CID 101134635
4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one
CID 101419326
(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one
CID 11909630

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one?
The IUPAC name of (3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one (CID 135070728) is (3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one?
The canonical SMILES for (3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one is CC(C)(C)N1C(=O)[C@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one?
The InChIKey is XYWVUAPFXWBRTO-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H21NO/c1-19(2,3)20-17(15-12-8-5-9-13-15)16(18(20)21)14-10-6-4-7-11-14/h4-13,16-17H,1-3H3/t16-,17-/m1/s1.
What are the key properties of (3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one?
(3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one has a molecular weight of 279.38 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one is sourced from PubChem (CID 135070728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).