(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one

C24H23NO3 — CID 54114179

IUPAC(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2[C@@H](Cc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-27-20-12-8-18(9-13-20)23-22(16-17-6-4-3-5-7-17)24(26)25(23)19-10-14-21(28-2)15-11-19/h3-15,22-23H,16H2,1-2H3/t22-,23-/m1/s1
InChIKeyNJEOHMKVKONEEO-DHIUTWEWSA-N
MW373.45 g/mol
LogP4.65
Rot. Bonds6

About (3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one

(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one (PubChem CID 54114179) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is (3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
PubChem CID54114179
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2[C@@H](Cc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-27-20-12-8-18(9-13-20)23-22(16-17-6-4-3-5-7-17)24(26)25(23)19-10-14-21(28-2)15-11-19/h3-15,22-23H,16H2,1-2H3/t22-,23-/m1/s1
InChIKeyNJEOHMKVKONEEO-DHIUTWEWSA-N
XLogP4.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one
CID 102000373
3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 10852860
(3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one
CID 1236505
(3R,4S)-1-(4-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(3-phenylpropyl)azetidin-2-one
CID 10646916
(3R,4S)-1-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 10671216
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(3S,4S)-3-[(3R)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one;(3S,4R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one;(4S)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one;(4S)-3-[(3R)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 159825691
N-[4-[(2S,3R)-1-(4-methoxyphenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl]phenyl]acetamide
CID 10717429
(3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-1-(4-prop-2-enoxyphenyl)azetidin-2-one
CID 10670168
(5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 166443703
(3R,4S)-3-[2-(benzenesulfonyl)ethyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 10812133
(3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one
CID 10691765

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one (CID 54114179) is (3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one is COc1ccc([C@@H]2[C@@H](Cc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of (3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one?
The InChIKey is NJEOHMKVKONEEO-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H23NO3/c1-27-20-12-8-18(9-13-20)23-22(16-17-6-4-3-5-7-17)24(26)25(23)19-10-14-21(28-2)15-11-19/h3-15,22-23H,16H2,1-2H3/t22-,23-/m1/s1.
What are the key properties of (3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one?
(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one has a molecular weight of 373.45 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 54114179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).