(3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one

C17H17NO — CID 154718550

IUPAC(3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one
SMILESCc1ccc(N2C(=O)[C@@H](C)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C17H17NO/c1-12-8-10-15(11-9-12)18-16(13(2)17(18)19)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3/t13-,16-/m0/s1
InChIKeyRADXQPRHPSYAKY-BBRMVZONSA-N
MW251.33 g/mol
LogP3.72
Rot. Bonds2

About (3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one

(3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one (PubChem CID 154718550) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one
PubChem CID154718550
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one
SMILESCc1ccc(N2C(=O)[C@@H](C)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C17H17NO/c1-12-8-10-15(11-9-12)18-16(13(2)17(18)19)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3/t13-,16-/m0/s1
InChIKeyRADXQPRHPSYAKY-BBRMVZONSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)azetidin-2-one
CID 75219177
(3R,4S)-3-methyl-4-naphthalen-2-yl-1-phenylazetidin-2-one
CID 102399005
(3R,4S)-3-hydroxy-1,4-diphenylazetidin-2-one
CID 11424956
(3R,4S)-1-(4-hydroxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]-4-phenylazetidin-2-one
CID 101419597
4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one
CID 12509595
1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one
CID 156769473
(3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one
CID 124503407
3-acetyl-1,4-diphenylazetidin-2-one
CID 12575792
2-[2-[(2S,3R)-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]ethyl]isoindole-1,3-dione
CID 122210764
1-(4-methylphenyl)-4-(4-nitrophenyl)-3-phenoxyazetidin-2-one
CID 12509594
2-[1-(4-bromophenyl)-2-oxo-4-phenylazetidin-3-yl]isoindole-1,3-dione
CID 2855122
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one?
The IUPAC name of (3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one (CID 154718550) is (3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one.
What is the SMILES notation for (3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one?
The canonical SMILES for (3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one is Cc1ccc(N2C(=O)[C@@H](C)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one?
The InChIKey is RADXQPRHPSYAKY-BBRMVZONSA-N. The full InChI is InChI=1S/C17H17NO/c1-12-8-10-15(11-9-12)18-16(13(2)17(18)19)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3/t13-,16-/m0/s1.
What are the key properties of (3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one?
(3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one has a molecular weight of 251.33 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one is sourced from PubChem (CID 154718550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).