(E)-N-hydroxy-3-[3-[2-methyl-5-[(4Z,6Z)-3-methylidenenona-4,6-dienyl]-3-propan-2-ylimidazol-4-yl]phenyl]prop-2-enamide

C26H33N3O2 — CID 143076374

About (E)-N-hydroxy-3-[3-[2-methyl-5-[(4Z,6Z)-3-methylidenenona-4,6-dienyl]-3-propan-2-ylimidazol-4-yl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[3-[2-methyl-5-[(4Z,6Z)-3-methylidenenona-4,6-dienyl]-3-propan-2-ylimidazol-4-yl]phenyl]prop-2-enamide (PubChem CID 143076374) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-[2-methyl-5-[(4Z,6Z)-3-methylidenenona-4,6-dienyl]-3-propan-2-ylimidazol-4-yl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-hydroxy-3-[3-[2-methyl-5-[(4Z,6Z)-3-methylidenenona-4,6-dienyl]-3-propan-2-ylimidazol-4-yl]phenyl]prop-2-enamide
• PubChem CID: 143076374
• Molecular Formula: C26H33N3O2
• Molecular Weight: 419.57 g/mol
• Exact Mass: 419.26
• IUPAC Name: (E)-N-hydroxy-3-[3-[2-methyl-5-[(4Z,6Z)-3-methylidenenona-4,6-dienyl]-3-propan-2-ylimidazol-4-yl]phenyl]prop-2-enamide
• SMILES: C=C(/C=C\C=C/CC)CCc1nc(C)n(C(C)C)c1-c1cccc(/C=C/C(=O)NO)c1
• InChI: InChI=1S/C26H33N3O2/c1-6-7-8-9-11-20(4)14-16-24-26(29(19(2)3)21(5)27-24)23-13-10-12-22(18-23)15-17-25(30)28-31/h7-13,15,17-19,31H,4,6,14,16H2,1-3,5H3,(H,28,30)/b8-7-,11-9-,17-15+
• InChIKey: XTBAIIFZCSMYBS-YPVIUZAMSA-N
• XLogP: 5.97
• TPSA: 67.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.57
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[3-[2-methyl-5-[(4Z,6Z)-3-methylidenenona-4,6-dienyl]-3-propan-2-ylimidazol-4-yl]phenyl]prop-2-enamide?

The IUPAC name of (E)-N-hydroxy-3-[3-[2-methyl-5-[(4Z,6Z)-3-methylidenenona-4,6-dienyl]-3-propan-2-ylimidazol-4-yl]phenyl]prop-2-enamide (CID 143076374) is (E)-N-hydroxy-3-[3-[2-methyl-5-[(4Z,6Z)-3-methylidenenona-4,6-dienyl]-3-propan-2-ylimidazol-4-yl]phenyl]prop-2-enamide.

What is the SMILES notation for (E)-N-hydroxy-3-[3-[2-methyl-5-[(4Z,6Z)-3-methylidenenona-4,6-dienyl]-3-propan-2-ylimidazol-4-yl]phenyl]prop-2-enamide?

The canonical SMILES for (E)-N-hydroxy-3-[3-[2-methyl-5-[(4Z,6Z)-3-methylidenenona-4,6-dienyl]-3-propan-2-ylimidazol-4-yl]phenyl]prop-2-enamide is C=C(/C=C\C=C/CC)CCc1nc(C)n(C(C)C)c1-c1cccc(/C=C/C(=O)NO)c1.

What is the InChIKey of (E)-N-hydroxy-3-[3-[2-methyl-5-[(4Z,6Z)-3-methylidenenona-4,6-dienyl]-3-propan-2-ylimidazol-4-yl]phenyl]prop-2-enamide?

The InChIKey is XTBAIIFZCSMYBS-YPVIUZAMSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-6-7-8-9-11-20(4)14-16-24-26(29(19(2)3)21(5)27-24)23-13-10-12-22(18-23)15-17-25(30)28-31/h7-13,15,17-19,31H,4,6,14,16H2,1-3,5H3,(H,28,30)/b8-7-,11-9-,17-15+.

What are the key properties of (E)-N-hydroxy-3-[3-[2-methyl-5-[(4Z,6Z)-3-methylidenenona-4,6-dienyl]-3-propan-2-ylimidazol-4-yl]phenyl]prop-2-enamide?

(E)-N-hydroxy-3-[3-[2-methyl-5-[(4Z,6Z)-3-methylidenenona-4,6-dienyl]-3-propan-2-ylimidazol-4-yl]phenyl]prop-2-enamide has a molecular weight of 419.57 g/mol, XLogP of 5.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-hydroxy-3-[3-[2-methyl-5-[(4Z,6Z)-3-methylidenenona-4,6-dienyl]-3-propan-2-ylimidazol-4-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 143076374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).