4-(3,4-dimethoxyphenyl)-5-methoxy-N-[2-[4-(1-methoxyethenyl)phenyl]ethyl]-N-methyl-4-propan-2-ylhex-5-en-1-amine

C30H43NO4 — CID 89223226

About 4-(3,4-dimethoxyphenyl)-5-methoxy-N-[2-[4-(1-methoxyethenyl)phenyl]ethyl]-N-methyl-4-propan-2-ylhex-5-en-1-amine

4-(3,4-dimethoxyphenyl)-5-methoxy-N-[2-[4-(1-methoxyethenyl)phenyl]ethyl]-N-methyl-4-propan-2-ylhex-5-en-1-amine (PubChem CID 89223226) has the molecular formula C30H43NO4 and a molecular weight of 481.68 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-5-methoxy-N-[2-[4-(1-methoxyethenyl)phenyl]ethyl]-N-methyl-4-propan-2-ylhex-5-en-1-amine.

Molecular Properties

• Compound Name: 4-(3,4-dimethoxyphenyl)-5-methoxy-N-[2-[4-(1-methoxyethenyl)phenyl]ethyl]-N-methyl-4-propan-2-ylhex-5-en-1-amine
• PubChem CID: 89223226
• Molecular Formula: C30H43NO4
• Molecular Weight: 481.68 g/mol
• Exact Mass: 481.32
• IUPAC Name: 4-(3,4-dimethoxyphenyl)-5-methoxy-N-[2-[4-(1-methoxyethenyl)phenyl]ethyl]-N-methyl-4-propan-2-ylhex-5-en-1-amine
• SMILES: C=C(OC)c1ccc(CCN(C)CCCC(C(=C)OC)(c2ccc(OC)c(OC)c2)C(C)C)cc1
• InChI: InChI=1S/C30H43NO4/c1-22(2)30(24(4)33-7,27-15-16-28(34-8)29(21-27)35-9)18-10-19-31(5)20-17-25-11-13-26(14-12-25)23(3)32-6/h11-16,21-22H,3-4,10,17-20H2,1-2,5-9H3
• InChIKey: CZSCDIXDAQMKFX-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 40.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.68
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-5-methoxy-N-[2-[4-(1-methoxyethenyl)phenyl]ethyl]-N-methyl-4-propan-2-ylhex-5-en-1-amine?

The IUPAC name of 4-(3,4-dimethoxyphenyl)-5-methoxy-N-[2-[4-(1-methoxyethenyl)phenyl]ethyl]-N-methyl-4-propan-2-ylhex-5-en-1-amine (CID 89223226) is 4-(3,4-dimethoxyphenyl)-5-methoxy-N-[2-[4-(1-methoxyethenyl)phenyl]ethyl]-N-methyl-4-propan-2-ylhex-5-en-1-amine.

What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-5-methoxy-N-[2-[4-(1-methoxyethenyl)phenyl]ethyl]-N-methyl-4-propan-2-ylhex-5-en-1-amine?

The canonical SMILES for 4-(3,4-dimethoxyphenyl)-5-methoxy-N-[2-[4-(1-methoxyethenyl)phenyl]ethyl]-N-methyl-4-propan-2-ylhex-5-en-1-amine is C=C(OC)c1ccc(CCN(C)CCCC(C(=C)OC)(c2ccc(OC)c(OC)c2)C(C)C)cc1.

What is the InChIKey of 4-(3,4-dimethoxyphenyl)-5-methoxy-N-[2-[4-(1-methoxyethenyl)phenyl]ethyl]-N-methyl-4-propan-2-ylhex-5-en-1-amine?

The InChIKey is CZSCDIXDAQMKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43NO4/c1-22(2)30(24(4)33-7,27-15-16-28(34-8)29(21-27)35-9)18-10-19-31(5)20-17-25-11-13-26(14-12-25)23(3)32-6/h11-16,21-22H,3-4,10,17-20H2,1-2,5-9H3.

What are the key properties of 4-(3,4-dimethoxyphenyl)-5-methoxy-N-[2-[4-(1-methoxyethenyl)phenyl]ethyl]-N-methyl-4-propan-2-ylhex-5-en-1-amine?

4-(3,4-dimethoxyphenyl)-5-methoxy-N-[2-[4-(1-methoxyethenyl)phenyl]ethyl]-N-methyl-4-propan-2-ylhex-5-en-1-amine has a molecular weight of 481.68 g/mol, XLogP of 6.33, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-dimethoxyphenyl)-5-methoxy-N-[2-[4-(1-methoxyethenyl)phenyl]ethyl]-N-methyl-4-propan-2-ylhex-5-en-1-amine is sourced from PubChem (CID 89223226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).