2-[methoxy-[(4-methoxyphenyl)methoxy]methyl]-3-[3-(4-methoxyphenyl)propyl]-3-methyl-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide

C33H40N2O6 — CID 144899952

About 2-[methoxy-[(4-methoxyphenyl)methoxy]methyl]-3-[3-(4-methoxyphenyl)propyl]-3-methyl-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide

2-[methoxy-[(4-methoxyphenyl)methoxy]methyl]-3-[3-(4-methoxyphenyl)propyl]-3-methyl-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide (PubChem CID 144899952) has the molecular formula C33H40N2O6 and a molecular weight of 560.69 g/mol. Its IUPAC name is 2-[methoxy-[(4-methoxyphenyl)methoxy]methyl]-3-[3-(4-methoxyphenyl)propyl]-3-methyl-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide.

Molecular Properties

• Compound Name: 2-[methoxy-[(4-methoxyphenyl)methoxy]methyl]-3-[3-(4-methoxyphenyl)propyl]-3-methyl-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
• PubChem CID: 144899952
• Molecular Formula: C33H40N2O6
• Molecular Weight: 560.69 g/mol
• Exact Mass: 560.29
• IUPAC Name: 2-[methoxy-[(4-methoxyphenyl)methoxy]methyl]-3-[3-(4-methoxyphenyl)propyl]-3-methyl-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
• SMILES: COc1ccc(CCCC2(C)C(=O)N(C(=O)NC(C)c3ccccc3)C2C(OC)OCc2ccc(OC)cc2)cc1
• InChI: InChI=1S/C33H40N2O6/c1-23(26-11-7-6-8-12-26)34-32(37)35-29(30(40-5)41-22-25-15-19-28(39-4)20-16-25)33(2,31(35)36)21-9-10-24-13-17-27(38-3)18-14-24/h6-8,11-20,23,29-30H,9-10,21-22H2,1-5H3,(H,34,37)
• InChIKey: JFVARDVSILLDHF-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 86.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.69
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy-[(4-methoxyphenyl)methoxy]methyl]-3-[3-(4-methoxyphenyl)propyl]-3-methyl-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide?

The IUPAC name of 2-[methoxy-[(4-methoxyphenyl)methoxy]methyl]-3-[3-(4-methoxyphenyl)propyl]-3-methyl-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide (CID 144899952) is 2-[methoxy-[(4-methoxyphenyl)methoxy]methyl]-3-[3-(4-methoxyphenyl)propyl]-3-methyl-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide.

What is the SMILES notation for 2-[methoxy-[(4-methoxyphenyl)methoxy]methyl]-3-[3-(4-methoxyphenyl)propyl]-3-methyl-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide?

The canonical SMILES for 2-[methoxy-[(4-methoxyphenyl)methoxy]methyl]-3-[3-(4-methoxyphenyl)propyl]-3-methyl-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide is COc1ccc(CCCC2(C)C(=O)N(C(=O)NC(C)c3ccccc3)C2C(OC)OCc2ccc(OC)cc2)cc1.

What is the InChIKey of 2-[methoxy-[(4-methoxyphenyl)methoxy]methyl]-3-[3-(4-methoxyphenyl)propyl]-3-methyl-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide?

The InChIKey is JFVARDVSILLDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N2O6/c1-23(26-11-7-6-8-12-26)34-32(37)35-29(30(40-5)41-22-25-15-19-28(39-4)20-16-25)33(2,31(35)36)21-9-10-24-13-17-27(38-3)18-14-24/h6-8,11-20,23,29-30H,9-10,21-22H2,1-5H3,(H,34,37).

What are the key properties of 2-[methoxy-[(4-methoxyphenyl)methoxy]methyl]-3-[3-(4-methoxyphenyl)propyl]-3-methyl-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide?

2-[methoxy-[(4-methoxyphenyl)methoxy]methyl]-3-[3-(4-methoxyphenyl)propyl]-3-methyl-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide has a molecular weight of 560.69 g/mol, XLogP of 5.90, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methoxy-[(4-methoxyphenyl)methoxy]methyl]-3-[3-(4-methoxyphenyl)propyl]-3-methyl-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide is sourced from PubChem (CID 144899952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).