N'-[1-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide

C31H32N4O7 — CID 20766678

About N'-[1-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide

N'-[1-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (PubChem CID 20766678) has the molecular formula C31H32N4O7 and a molecular weight of 572.62 g/mol. Its IUPAC name is N'-[1-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide.

Molecular Properties

• Compound Name: N'-[1-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
• PubChem CID: 20766678
• Molecular Formula: C31H32N4O7
• Molecular Weight: 572.62 g/mol
• Exact Mass: 572.23
• IUPAC Name: N'-[1-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
• SMILES: COc1ccc(C(=O)Nc2ccc(CC(C)(C)NC(=O)C(=O)Nc3ccc(-c4cnco4)c(OC)c3)cc2)cc1OC
• InChI: InChI=1S/C31H32N4O7/c1-31(2,35-30(38)29(37)34-22-11-12-23(25(15-22)40-4)27-17-32-18-42-27)16-19-6-9-21(10-7-19)33-28(36)20-8-13-24(39-3)26(14-20)41-5/h6-15,17-18H,16H2,1-5H3,(H,33,36)(H,34,37)(H,35,38)
• InChIKey: ZAZFGDKTJPEZGR-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 141.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.62
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?

The IUPAC name of N'-[1-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (CID 20766678) is N'-[1-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide.

What is the SMILES notation for N'-[1-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?

The canonical SMILES for N'-[1-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is COc1ccc(C(=O)Nc2ccc(CC(C)(C)NC(=O)C(=O)Nc3ccc(-c4cnco4)c(OC)c3)cc2)cc1OC.

What is the InChIKey of N'-[1-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?

The InChIKey is ZAZFGDKTJPEZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O7/c1-31(2,35-30(38)29(37)34-22-11-12-23(25(15-22)40-4)27-17-32-18-42-27)16-19-6-9-21(10-7-19)33-28(36)20-8-13-24(39-3)26(14-20)41-5/h6-15,17-18H,16H2,1-5H3,(H,33,36)(H,34,37)(H,35,38).

What are the key properties of N'-[1-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?

N'-[1-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide has a molecular weight of 572.62 g/mol, XLogP of 4.70, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[1-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 20766678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).