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

C19H22N2O6 — CID 10022279

IUPAC4-(3-amino-4-methoxyphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(C2C(O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H22N2O6/c1-24-13-6-5-10(7-12(13)20)16-17(22)19(23)21(16)11-8-14(25-2)18(27-4)15(9-11)26-3/h5-9,16-17,22H,20H2,1-4H3
InChIKeyDWPCTWGZTVHWRA-UHFFFAOYSA-N
MW374.39 g/mol
LogP1.75
Rot. Bonds6

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

4-(3-amino-4-methoxyphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 10022279) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is 4-(3-amino-4-methoxyphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name4-(3-amino-4-methoxyphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID10022279
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name4-(3-amino-4-methoxyphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(C2C(O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H22N2O6/c1-24-13-6-5-10(7-12(13)20)16-17(22)19(23)21(16)11-8-14(25-2)18(27-4)15(9-11)26-3/h5-9,16-17,22H,20H2,1-4H3
InChIKeyDWPCTWGZTVHWRA-UHFFFAOYSA-N
XLogP1.75
TPSA103.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(3-amino-4-methoxyphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methoxyphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of 4-(3-amino-4-methoxyphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 10022279) is 4-(3-amino-4-methoxyphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for 4-(3-amino-4-methoxyphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for 4-(3-amino-4-methoxyphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is COc1ccc(C2C(O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N.
What is the InChIKey of 4-(3-amino-4-methoxyphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is DWPCTWGZTVHWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-24-13-6-5-10(7-12(13)20)16-17(22)19(23)21(16)11-8-14(25-2)18(27-4)15(9-11)26-3/h5-9,16-17,22H,20H2,1-4H3.
What are the key properties of 4-(3-amino-4-methoxyphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
4-(3-amino-4-methoxyphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 374.39 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methoxyphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 10022279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).