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

C21H25NO5 — CID 50906009

IUPAC4-(4-methoxyphenyl)-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(C2N(c3cc(OC)c(OC)c(OC)c3)C(=O)C2(C)C)cc1
InChIInChI=1S/C21H25NO5/c1-21(2)19(13-7-9-15(24-3)10-8-13)22(20(21)23)14-11-16(25-4)18(27-6)17(12-14)26-5/h7-12,19H,1-6H3
InChIKeyDXDUDLWTSRMYRD-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.84
Rot. Bonds6

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

4-(4-methoxyphenyl)-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 50906009) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID50906009
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name4-(4-methoxyphenyl)-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(C2N(c3cc(OC)c(OC)c(OC)c3)C(=O)C2(C)C)cc1
InChIInChI=1S/C21H25NO5/c1-21(2)19(13-7-9-15(24-3)10-8-13)22(20(21)23)14-11-16(25-4)18(27-6)17(12-14)26-5/h7-12,19H,1-6H3
InChIKeyDXDUDLWTSRMYRD-UHFFFAOYSA-N
XLogP3.84
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 50906009) is 4-(4-methoxyphenyl)-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is COc1ccc(C2N(c3cc(OC)c(OC)c(OC)c3)C(=O)C2(C)C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is DXDUDLWTSRMYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-21(2)19(13-7-9-15(24-3)10-8-13)22(20(21)23)14-11-16(25-4)18(27-6)17(12-14)26-5/h7-12,19H,1-6H3.
What are the key properties of 4-(4-methoxyphenyl)-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
4-(4-methoxyphenyl)-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 371.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 50906009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).