6-methyl-4-[methyl-[3-[7-[1-[5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]ethyl]naphthalen-2-yl]oxypropyl]amino]oxan-2-ol

C30H42N2O3 — CID 176927260

About 6-methyl-4-[methyl-[3-[7-[1-[5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]ethyl]naphthalen-2-yl]oxypropyl]amino]oxan-2-ol

6-methyl-4-[methyl-[3-[7-[1-[5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]ethyl]naphthalen-2-yl]oxypropyl]amino]oxan-2-ol (PubChem CID 176927260) has the molecular formula C30H42N2O3 and a molecular weight of 478.68 g/mol. Its IUPAC name is 6-methyl-4-[methyl-[3-[7-[1-[5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]ethyl]naphthalen-2-yl]oxypropyl]amino]oxan-2-ol.

Molecular Properties

• Compound Name: 6-methyl-4-[methyl-[3-[7-[1-[5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]ethyl]naphthalen-2-yl]oxypropyl]amino]oxan-2-ol
• PubChem CID: 176927260
• Molecular Formula: C30H42N2O3
• Molecular Weight: 478.68 g/mol
• Exact Mass: 478.32
• IUPAC Name: 6-methyl-4-[methyl-[3-[7-[1-[5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]ethyl]naphthalen-2-yl]oxypropyl]amino]oxan-2-ol
• SMILES: C/C=C\C1=C(C)N(C(C)c2ccc3ccc(OCCCN(C)C4CC(C)OC(O)C4)cc3c2)CC1
• InChI: InChI=1S/C30H42N2O3/c1-6-8-24-13-15-32(22(24)3)23(4)26-10-9-25-11-12-29(19-27(25)18-26)34-16-7-14-31(5)28-17-21(2)35-30(33)20-28/h6,8-12,18-19,21,23,28,30,33H,7,13-17,20H2,1-5H3/b8-6-
• InChIKey: JCGGAEUDSPSYQV-VURMDHGXSA-N
• XLogP: 6.04
• TPSA: 45.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.68
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[methyl-[3-[7-[1-[5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]ethyl]naphthalen-2-yl]oxypropyl]amino]oxan-2-ol?

The IUPAC name of 6-methyl-4-[methyl-[3-[7-[1-[5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]ethyl]naphthalen-2-yl]oxypropyl]amino]oxan-2-ol (CID 176927260) is 6-methyl-4-[methyl-[3-[7-[1-[5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]ethyl]naphthalen-2-yl]oxypropyl]amino]oxan-2-ol.

What is the SMILES notation for 6-methyl-4-[methyl-[3-[7-[1-[5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]ethyl]naphthalen-2-yl]oxypropyl]amino]oxan-2-ol?

The canonical SMILES for 6-methyl-4-[methyl-[3-[7-[1-[5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]ethyl]naphthalen-2-yl]oxypropyl]amino]oxan-2-ol is C/C=C\C1=C(C)N(C(C)c2ccc3ccc(OCCCN(C)C4CC(C)OC(O)C4)cc3c2)CC1.

What is the InChIKey of 6-methyl-4-[methyl-[3-[7-[1-[5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]ethyl]naphthalen-2-yl]oxypropyl]amino]oxan-2-ol?

The InChIKey is JCGGAEUDSPSYQV-VURMDHGXSA-N. The full InChI is InChI=1S/C30H42N2O3/c1-6-8-24-13-15-32(22(24)3)23(4)26-10-9-25-11-12-29(19-27(25)18-26)34-16-7-14-31(5)28-17-21(2)35-30(33)20-28/h6,8-12,18-19,21,23,28,30,33H,7,13-17,20H2,1-5H3/b8-6-.

What are the key properties of 6-methyl-4-[methyl-[3-[7-[1-[5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]ethyl]naphthalen-2-yl]oxypropyl]amino]oxan-2-ol?

6-methyl-4-[methyl-[3-[7-[1-[5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]ethyl]naphthalen-2-yl]oxypropyl]amino]oxan-2-ol has a molecular weight of 478.68 g/mol, XLogP of 6.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-4-[methyl-[3-[7-[1-[5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]ethyl]naphthalen-2-yl]oxypropyl]amino]oxan-2-ol is sourced from PubChem (CID 176927260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).