(4E)-N-cyclohexyl-4-[[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide

C28H33N3O4 — CID 19163501

About (4E)-N-cyclohexyl-4-[[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide

(4E)-N-cyclohexyl-4-[[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 19163501) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is (4E)-N-cyclohexyl-4-[[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: (4E)-N-cyclohexyl-4-[[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
• PubChem CID: 19163501
• Molecular Formula: C28H33N3O4
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.25
• IUPAC Name: (4E)-N-cyclohexyl-4-[[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
• SMILES: Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NC5CCCCC5)c(C)c43)coc2c1
• InChI: InChI=1S/C28H33N3O4/c1-16-12-17(2)25-19(15-34-23(25)13-16)14-24(32)31-30-21-10-7-11-22-26(21)18(3)27(35-22)28(33)29-20-8-5-4-6-9-20/h12-13,15,20H,4-11,14H2,1-3H3,(H,29,33)(H,31,32)/b30-21+
• InChIKey: MBUMCLVHGIGBAV-MWAVMZGNSA-N
• XLogP: 5.41
• TPSA: 96.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4E)-N-cyclohexyl-4-[[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide?

The IUPAC name of (4E)-N-cyclohexyl-4-[[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 19163501) is (4E)-N-cyclohexyl-4-[[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

What is the SMILES notation for (4E)-N-cyclohexyl-4-[[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide?

The canonical SMILES for (4E)-N-cyclohexyl-4-[[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide is Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NC5CCCCC5)c(C)c43)coc2c1.

What is the InChIKey of (4E)-N-cyclohexyl-4-[[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide?

The InChIKey is MBUMCLVHGIGBAV-MWAVMZGNSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-16-12-17(2)25-19(15-34-23(25)13-16)14-24(32)31-30-21-10-7-11-22-26(21)18(3)27(35-22)28(33)29-20-8-5-4-6-9-20/h12-13,15,20H,4-11,14H2,1-3H3,(H,29,33)(H,31,32)/b30-21+.

What are the key properties of (4E)-N-cyclohexyl-4-[[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide?

(4E)-N-cyclohexyl-4-[[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4E)-N-cyclohexyl-4-[[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19163501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).