4-(4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

C20H23NO5 — CID 50906008

IUPAC4-(4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(C2C(C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23NO5/c1-12-18(13-6-8-15(23-2)9-7-13)21(20(12)22)14-10-16(24-3)19(26-5)17(11-14)25-4/h6-12,18H,1-5H3
InChIKeyYZCPEPBZYIZWJR-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.44
Rot. Bonds6

About 4-(4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

4-(4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 50906008) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID50906008
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name4-(4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(C2C(C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23NO5/c1-12-18(13-6-8-15(23-2)9-7-13)21(20(12)22)14-10-16(24-3)19(26-5)17(11-14)25-4/h6-12,18H,1-5H3
InChIKeyYZCPEPBZYIZWJR-UHFFFAOYSA-N
XLogP3.44
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 131953484
(3r,4r)-4-(4-Methoxy-3-Oxidanyl-Phenyl)-3-Methyl-1-(3,4,5-Trimethoxyphenyl)azetidin-2-One
CID 124222383
Tubulin inhibitor 42
CID 131953485
(3R,4S)-4-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 50915196
(4S)-4-(4-methoxyphenyl)-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 54583407
(3S,4R)-3-(fluoromethyl)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 162669814
4-(3-Amino-4-methoxyphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 10022279
1-Acetyl-4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazol-2-one
CID 44455890
(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 46941177
4-(3-Hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 50905584
4-(3-Hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 50905791
4-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 50906007

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 50906008) is 4-(4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is COc1ccc(C2C(C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is YZCPEPBZYIZWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-12-18(13-6-8-15(23-2)9-7-13)21(20(12)22)14-10-16(24-3)19(26-5)17(11-14)25-4/h6-12,18H,1-5H3.
What are the key properties of 4-(4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
4-(4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 357.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 50906008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).