(3S,4S)-1-benzhydryl-4-benzoyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one

C25H23NO3 — CID 11463283

IUPAC(3S,4S)-1-benzhydryl-4-benzoyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one
SMILESC[C@@H](O)[C@H]1C(=O)N(C(c2ccccc2)c2ccccc2)[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C25H23NO3/c1-17(27)21-23(24(28)20-15-9-4-10-16-20)26(25(21)29)22(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-17,21-23,27H,1H3/t17-,21-,23+/m1/s1
InChIKeyXTAILPJTTILMSL-OAOOKAIFSA-N
MW385.46 g/mol
LogP3.87
Rot. Bonds6

About (3S,4S)-1-benzhydryl-4-benzoyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one

(3S,4S)-1-benzhydryl-4-benzoyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one (PubChem CID 11463283) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is (3S,4S)-1-benzhydryl-4-benzoyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1-benzhydryl-4-benzoyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one
PubChem CID11463283
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name(3S,4S)-1-benzhydryl-4-benzoyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one
SMILESC[C@@H](O)[C@H]1C(=O)N(C(c2ccccc2)c2ccccc2)[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C25H23NO3/c1-17(27)21-23(24(28)20-15-9-4-10-16-20)26(25(21)29)22(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-17,21-23,27H,1H3/t17-,21-,23+/m1/s1
InChIKeyXTAILPJTTILMSL-OAOOKAIFSA-N
XLogP3.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(diphenyl)methyl-3(S)-[1'(R)-hydroxoethyl]-4(S)-[2",2"-dimethyl-1"-oxopropyl]-2-azetidinone
CID 11382972
(3S,4S)-4-(2,2-dimethylpropanoyl)-1-[hydroxy(diphenyl)methyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 12074616
(3S,4S)-1-Benzhydryl-4-(cyclopropylcarbonyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 11416796
[(2R,5R)-2-(4-fluorophenyl)-4-hydroxy-5-methylpiperidin-1-yl]-phenylmethanone
CID 164750542
(3S,4S)-4-benzoyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 13970596
(2S,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carbaldehyde
CID 16082489
(3S,4S)-4-benzoyl-3-ethenyl-1-(1-phenylethyl)azetidin-2-one
CID 102241606
(3S,4S)-1-benzyl-3-fluoro-3-(1-hydroxyethyl)-4-phenylazetidin-2-one
CID 72190988
(3S,4S)-1-benzyl-3-fluoro-3-(1-hydroxy-2-methylpropyl)-4-phenylazetidin-2-one
CID 72190989
(3S,4S)-1-benzyl-3-[cyclohexyl(hydroxy)methyl]-3-fluoro-4-phenylazetidin-2-one
CID 72190990
(3R,4R)-1-benzyl-3-[cyclohexyl(hydroxy)methyl]-3-fluoro-4-phenylazetidin-2-one
CID 102137191
(3S,4R)-1-benzyl-3-(hydroxymethyl)-4-phenylazetidin-2-one
CID 21575300

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-benzhydryl-4-benzoyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
The IUPAC name of (3S,4S)-1-benzhydryl-4-benzoyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one (CID 11463283) is (3S,4S)-1-benzhydryl-4-benzoyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one.
What is the SMILES notation for (3S,4S)-1-benzhydryl-4-benzoyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
The canonical SMILES for (3S,4S)-1-benzhydryl-4-benzoyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one is C[C@@H](O)[C@H]1C(=O)N(C(c2ccccc2)c2ccccc2)[C@@H]1C(=O)c1ccccc1.
What is the InChIKey of (3S,4S)-1-benzhydryl-4-benzoyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
The InChIKey is XTAILPJTTILMSL-OAOOKAIFSA-N. The full InChI is InChI=1S/C25H23NO3/c1-17(27)21-23(24(28)20-15-9-4-10-16-20)26(25(21)29)22(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-17,21-23,27H,1H3/t17-,21-,23+/m1/s1.
What are the key properties of (3S,4S)-1-benzhydryl-4-benzoyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
(3S,4S)-1-benzhydryl-4-benzoyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one has a molecular weight of 385.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-benzhydryl-4-benzoyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one is sourced from PubChem (CID 11463283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).