N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide

C28H35N3O7 — CID 4568767

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide (PubChem CID 4568767) has the molecular formula C28H35N3O7 and a molecular weight of 525.60 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
• PubChem CID: 4568767
• Molecular Formula: C28H35N3O7
• Molecular Weight: 525.60 g/mol
• Exact Mass: 525.25
• IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
• SMILES: CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1
• InChI: InChI=1S/C28H35N3O7/c1-6-35-25-16-23(31-10-12-34-13-11-31)26(36-7-2)15-22(25)29-28(32)20-8-9-24(27(14-20)33-5)37-17-21-18(3)30-38-19(21)4/h8-9,14-16H,6-7,10-13,17H2,1-5H3,(H,29,32)
• InChIKey: CUYSQSQFXBRMKT-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 104.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.60
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?

The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide (CID 4568767) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide.

What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?

The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1.

What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?

The InChIKey is CUYSQSQFXBRMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O7/c1-6-35-25-16-23(31-10-12-34-13-11-31)26(36-7-2)15-22(25)29-28(32)20-8-9-24(27(14-20)33-5)37-17-21-18(3)30-38-19(21)4/h8-9,14-16H,6-7,10-13,17H2,1-5H3,(H,29,32).

What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide has a molecular weight of 525.60 g/mol, XLogP of 4.77, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide is sourced from PubChem (CID 4568767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).