N-hydroxy-2-[4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]phenyl]-2-methylpropanamide

C28H31NO7 — CID 164610867

About N-hydroxy-2-[4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]phenyl]-2-methylpropanamide

N-hydroxy-2-[4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]phenyl]-2-methylpropanamide (PubChem CID 164610867) has the molecular formula C28H31NO7 and a molecular weight of 493.56 g/mol. Its IUPAC name is N-hydroxy-2-[4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]phenyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-hydroxy-2-[4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]phenyl]-2-methylpropanamide
• PubChem CID: 164610867
• Molecular Formula: C28H31NO7
• Molecular Weight: 493.56 g/mol
• Exact Mass: 493.21
• IUPAC Name: N-hydroxy-2-[4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]phenyl]-2-methylpropanamide
• SMILES: COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1Oc1ccc(C(C)(C)C(=O)NO)cc1
• InChI: InChI=1S/C28H31NO7/c1-28(2,27(30)29-31)20-10-12-21(13-11-20)36-23-15-18(9-14-22(23)32-3)7-8-19-16-24(33-4)26(35-6)25(17-19)34-5/h7-17,31H,1-6H3,(H,29,30)/b8-7-
• InChIKey: RMOXWUHSTCCOQU-FPLPWBNLSA-N
• XLogP: 5.47
• TPSA: 95.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.56
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]phenyl]-2-methylpropanamide?

The IUPAC name of N-hydroxy-2-[4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]phenyl]-2-methylpropanamide (CID 164610867) is N-hydroxy-2-[4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]phenyl]-2-methylpropanamide.

What is the SMILES notation for N-hydroxy-2-[4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]phenyl]-2-methylpropanamide?

The canonical SMILES for N-hydroxy-2-[4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]phenyl]-2-methylpropanamide is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1Oc1ccc(C(C)(C)C(=O)NO)cc1.

What is the InChIKey of N-hydroxy-2-[4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]phenyl]-2-methylpropanamide?

The InChIKey is RMOXWUHSTCCOQU-FPLPWBNLSA-N. The full InChI is InChI=1S/C28H31NO7/c1-28(2,27(30)29-31)20-10-12-21(13-11-20)36-23-15-18(9-14-22(23)32-3)7-8-19-16-24(33-4)26(35-6)25(17-19)34-5/h7-17,31H,1-6H3,(H,29,30)/b8-7-.

What are the key properties of N-hydroxy-2-[4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]phenyl]-2-methylpropanamide?

N-hydroxy-2-[4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]phenyl]-2-methylpropanamide has a molecular weight of 493.56 g/mol, XLogP of 5.47, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-2-[4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]phenyl]-2-methylpropanamide is sourced from PubChem (CID 164610867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).