N-cyclohexyl-2-[2-methylhepta-1,3,5-trien-4-yl-[2-(2-methylimidazol-1-yl)acetyl]amino]-2-(2-methylphenyl)acetamide

C29H38N4O2 — CID 123401759

About N-cyclohexyl-2-[2-methylhepta-1,3,5-trien-4-yl-[2-(2-methylimidazol-1-yl)acetyl]amino]-2-(2-methylphenyl)acetamide

N-cyclohexyl-2-[2-methylhepta-1,3,5-trien-4-yl-[2-(2-methylimidazol-1-yl)acetyl]amino]-2-(2-methylphenyl)acetamide (PubChem CID 123401759) has the molecular formula C29H38N4O2 and a molecular weight of 474.65 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-methylhepta-1,3,5-trien-4-yl-[2-(2-methylimidazol-1-yl)acetyl]amino]-2-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[2-methylhepta-1,3,5-trien-4-yl-[2-(2-methylimidazol-1-yl)acetyl]amino]-2-(2-methylphenyl)acetamide
• PubChem CID: 123401759
• Molecular Formula: C29H38N4O2
• Molecular Weight: 474.65 g/mol
• Exact Mass: 474.30
• IUPAC Name: N-cyclohexyl-2-[2-methylhepta-1,3,5-trien-4-yl-[2-(2-methylimidazol-1-yl)acetyl]amino]-2-(2-methylphenyl)acetamide
• SMILES: C=C(C)C=C(C=CC)N(C(=O)Cn1ccnc1C)C(C(=O)NC1CCCCC1)c1ccccc1C
• InChI: InChI=1S/C29H38N4O2/c1-6-12-25(19-21(2)3)33(27(34)20-32-18-17-30-23(32)5)28(26-16-11-10-13-22(26)4)29(35)31-24-14-8-7-9-15-24/h6,10-13,16-19,24,28H,2,7-9,14-15,20H2,1,3-5H3,(H,31,35)
• InChIKey: AJWGULYBQJVZIG-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.65
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-methylhepta-1,3,5-trien-4-yl-[2-(2-methylimidazol-1-yl)acetyl]amino]-2-(2-methylphenyl)acetamide?

The IUPAC name of N-cyclohexyl-2-[2-methylhepta-1,3,5-trien-4-yl-[2-(2-methylimidazol-1-yl)acetyl]amino]-2-(2-methylphenyl)acetamide (CID 123401759) is N-cyclohexyl-2-[2-methylhepta-1,3,5-trien-4-yl-[2-(2-methylimidazol-1-yl)acetyl]amino]-2-(2-methylphenyl)acetamide.

What is the SMILES notation for N-cyclohexyl-2-[2-methylhepta-1,3,5-trien-4-yl-[2-(2-methylimidazol-1-yl)acetyl]amino]-2-(2-methylphenyl)acetamide?

The canonical SMILES for N-cyclohexyl-2-[2-methylhepta-1,3,5-trien-4-yl-[2-(2-methylimidazol-1-yl)acetyl]amino]-2-(2-methylphenyl)acetamide is C=C(C)C=C(C=CC)N(C(=O)Cn1ccnc1C)C(C(=O)NC1CCCCC1)c1ccccc1C.

What is the InChIKey of N-cyclohexyl-2-[2-methylhepta-1,3,5-trien-4-yl-[2-(2-methylimidazol-1-yl)acetyl]amino]-2-(2-methylphenyl)acetamide?

The InChIKey is AJWGULYBQJVZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O2/c1-6-12-25(19-21(2)3)33(27(34)20-32-18-17-30-23(32)5)28(26-16-11-10-13-22(26)4)29(35)31-24-14-8-7-9-15-24/h6,10-13,16-19,24,28H,2,7-9,14-15,20H2,1,3-5H3,(H,31,35).

What are the key properties of N-cyclohexyl-2-[2-methylhepta-1,3,5-trien-4-yl-[2-(2-methylimidazol-1-yl)acetyl]amino]-2-(2-methylphenyl)acetamide?

N-cyclohexyl-2-[2-methylhepta-1,3,5-trien-4-yl-[2-(2-methylimidazol-1-yl)acetyl]amino]-2-(2-methylphenyl)acetamide has a molecular weight of 474.65 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[2-methylhepta-1,3,5-trien-4-yl-[2-(2-methylimidazol-1-yl)acetyl]amino]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 123401759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).