(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-(3-morpholin-4-ylpropyl)cyclohex-3-ene-1-carboxamide

C40H68N2O2 — CID 162436736

About (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-(3-morpholin-4-ylpropyl)cyclohex-3-ene-1-carboxamide

(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-(3-morpholin-4-ylpropyl)cyclohex-3-ene-1-carboxamide (PubChem CID 162436736) has the molecular formula C40H68N2O2 and a molecular weight of 609.00 g/mol. Its IUPAC name is (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-(3-morpholin-4-ylpropyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

• Compound Name: (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-(3-morpholin-4-ylpropyl)cyclohex-3-ene-1-carboxamide
• PubChem CID: 162436736
• Molecular Formula: C40H68N2O2
• Molecular Weight: 609.00 g/mol
• Exact Mass: 608.53
• IUPAC Name: (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-(3-morpholin-4-ylpropyl)cyclohex-3-ene-1-carboxamide
• SMILES: C=C(CC)CC/C=C(\C)CCC=C(C)C.CC(C)=CCC/C(C)=C/CCC1=CCCC(C(=O)NCCCN2CCOCC2)C1
• InChI: InChI=1S/C25H42N2O2.C15H26/c1-21(2)8-4-9-22(3)10-5-11-23-12-6-13-24(20-23)25(28)26-14-7-15-27-16-18-29-19-17-27;1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h8,10,12,24H,4-7,9,11,13-20H2,1-3H3,(H,26,28);9,12H,4,6-8,10-11H2,1-3,5H3/b22-10+;15-12+
• InChIKey: HQAGTFOIOXTEBH-XNRPWDPWSA-N
• XLogP: 10.45
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 18
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.00
LogP ≤ 5	10.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-(3-morpholin-4-ylpropyl)cyclohex-3-ene-1-carboxamide?

The IUPAC name of (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-(3-morpholin-4-ylpropyl)cyclohex-3-ene-1-carboxamide (CID 162436736) is (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-(3-morpholin-4-ylpropyl)cyclohex-3-ene-1-carboxamide.

What is the SMILES notation for (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-(3-morpholin-4-ylpropyl)cyclohex-3-ene-1-carboxamide?

The canonical SMILES for (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-(3-morpholin-4-ylpropyl)cyclohex-3-ene-1-carboxamide is C=C(CC)CC/C=C(\C)CCC=C(C)C.CC(C)=CCC/C(C)=C/CCC1=CCCC(C(=O)NCCCN2CCOCC2)C1.

What is the InChIKey of (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-(3-morpholin-4-ylpropyl)cyclohex-3-ene-1-carboxamide?

The InChIKey is HQAGTFOIOXTEBH-XNRPWDPWSA-N. The full InChI is InChI=1S/C25H42N2O2.C15H26/c1-21(2)8-4-9-22(3)10-5-11-23-12-6-13-24(20-23)25(28)26-14-7-15-27-16-18-29-19-17-27;1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h8,10,12,24H,4-7,9,11,13-20H2,1-3H3,(H,26,28);9,12H,4,6-8,10-11H2,1-3,5H3/b22-10+;15-12+.

What are the key properties of (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-(3-morpholin-4-ylpropyl)cyclohex-3-ene-1-carboxamide?

(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-(3-morpholin-4-ylpropyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 609.00 g/mol, XLogP of 10.45, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-(3-morpholin-4-ylpropyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 162436736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).