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

C25H24N2O7 — CID 67243271

IUPAC4-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(C2C(c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H24N2O7/c1-31-19-11-7-16(8-12-19)23-22(15-5-9-17(10-6-15)27(29)30)25(28)26(23)18-13-20(32-2)24(34-4)21(14-18)33-3/h5-14,22-23H,1-4H3
InChIKeyIHLVOCXJWBRQHP-UHFFFAOYSA-N
MW464.47 g/mol
LogP4.50
Rot. Bonds8

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

4-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 67243271) has the molecular formula C25H24N2O7 and a molecular weight of 464.47 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID67243271
Molecular FormulaC25H24N2O7
Molecular Weight464.47 g/mol
Exact Mass464.16
IUPAC Name4-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(C2C(c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H24N2O7/c1-31-19-11-7-16(8-12-19)23-22(15-5-9-17(10-6-15)27(29)30)25(28)26(23)18-13-20(32-2)24(34-4)21(14-18)33-3/h5-14,22-23H,1-4H3
InChIKeyIHLVOCXJWBRQHP-UHFFFAOYSA-N
XLogP4.50
TPSA100.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 67243271) is 4-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is COc1ccc(C2C(c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is IHLVOCXJWBRQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O7/c1-31-19-11-7-16(8-12-19)23-22(15-5-9-17(10-6-15)27(29)30)25(28)26(23)18-13-20(32-2)24(34-4)21(14-18)33-3/h5-14,22-23H,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
4-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 464.47 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 67243271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).