8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-N,N-dimethyl-2,7-di(propan-2-yl)nona-4,8-dienamide

C28H45NO4 — CID 90734071

About 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-N,N-dimethyl-2,7-di(propan-2-yl)nona-4,8-dienamide

8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-N,N-dimethyl-2,7-di(propan-2-yl)nona-4,8-dienamide (PubChem CID 90734071) has the molecular formula C28H45NO4 and a molecular weight of 459.67 g/mol. Its IUPAC name is 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-N,N-dimethyl-2,7-di(propan-2-yl)nona-4,8-dienamide.

Molecular Properties

• Compound Name: 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-N,N-dimethyl-2,7-di(propan-2-yl)nona-4,8-dienamide
• PubChem CID: 90734071
• Molecular Formula: C28H45NO4
• Molecular Weight: 459.67 g/mol
• Exact Mass: 459.33
• IUPAC Name: 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-N,N-dimethyl-2,7-di(propan-2-yl)nona-4,8-dienamide
• SMILES: C=C(c1ccc(OC)c(OCCCOC)c1)C(CC=CCC(C(=O)N(C)C)C(C)C)C(C)C
• InChI: InChI=1S/C28H45NO4/c1-20(2)24(13-10-11-14-25(21(3)4)28(30)29(6)7)22(5)23-15-16-26(32-9)27(19-23)33-18-12-17-31-8/h10-11,15-16,19-21,24-25H,5,12-14,17-18H2,1-4,6-9H3
• InChIKey: URPKQRPGXHAKAE-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 48.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.67
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-N,N-dimethyl-2,7-di(propan-2-yl)nona-4,8-dienamide?

The IUPAC name of 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-N,N-dimethyl-2,7-di(propan-2-yl)nona-4,8-dienamide (CID 90734071) is 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-N,N-dimethyl-2,7-di(propan-2-yl)nona-4,8-dienamide.

What is the SMILES notation for 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-N,N-dimethyl-2,7-di(propan-2-yl)nona-4,8-dienamide?

The canonical SMILES for 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-N,N-dimethyl-2,7-di(propan-2-yl)nona-4,8-dienamide is C=C(c1ccc(OC)c(OCCCOC)c1)C(CC=CCC(C(=O)N(C)C)C(C)C)C(C)C.

What is the InChIKey of 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-N,N-dimethyl-2,7-di(propan-2-yl)nona-4,8-dienamide?

The InChIKey is URPKQRPGXHAKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45NO4/c1-20(2)24(13-10-11-14-25(21(3)4)28(30)29(6)7)22(5)23-15-16-26(32-9)27(19-23)33-18-12-17-31-8/h10-11,15-16,19-21,24-25H,5,12-14,17-18H2,1-4,6-9H3.

What are the key properties of 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-N,N-dimethyl-2,7-di(propan-2-yl)nona-4,8-dienamide?

8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-N,N-dimethyl-2,7-di(propan-2-yl)nona-4,8-dienamide has a molecular weight of 459.67 g/mol, XLogP of 6.09, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-N,N-dimethyl-2,7-di(propan-2-yl)nona-4,8-dienamide is sourced from PubChem (CID 90734071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).