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

C19H21NO5 — CID 50906007

IUPAC4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(C2CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H21NO5/c1-22-14-7-5-12(6-8-14)15-11-18(21)20(15)13-9-16(23-2)19(25-4)17(10-13)24-3/h5-10,15H,11H2,1-4H3
InChIKeyZACXWHKYTKNFDX-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.20
Rot. Bonds6

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

4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 50906007) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID50906007
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(C2CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H21NO5/c1-22-14-7-5-12(6-8-14)15-11-18(21)20(15)13-9-16(23-2)19(25-4)17(10-13)24-3/h5-10,15H,11H2,1-4H3
InChIKeyZACXWHKYTKNFDX-UHFFFAOYSA-N
XLogP3.20
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 50906007) is 4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is COc1ccc(C2CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is ZACXWHKYTKNFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-22-14-7-5-12(6-8-14)15-11-18(21)20(15)13-9-16(23-2)19(25-4)17(10-13)24-3/h5-10,15H,11H2,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 343.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 50906007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).