2-[[3-[3-[3-[(4-fluorophenyl)methoxy]prop-1-en-2-ylamino]propoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethanol

C32H38FN3O3 — CID 143299484

About 2-[[3-[3-[3-[(4-fluorophenyl)methoxy]prop-1-en-2-ylamino]propoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethanol

2-[[3-[3-[3-[(4-fluorophenyl)methoxy]prop-1-en-2-ylamino]propoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethanol (PubChem CID 143299484) has the molecular formula C32H38FN3O3 and a molecular weight of 531.67 g/mol. Its IUPAC name is 2-[[3-[3-[3-[(4-fluorophenyl)methoxy]prop-1-en-2-ylamino]propoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[[3-[3-[3-[(4-fluorophenyl)methoxy]prop-1-en-2-ylamino]propoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethanol
• PubChem CID: 143299484
• Molecular Formula: C32H38FN3O3
• Molecular Weight: 531.67 g/mol
• Exact Mass: 531.29
• IUPAC Name: 2-[[3-[3-[3-[(4-fluorophenyl)methoxy]prop-1-en-2-ylamino]propoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethanol
• SMILES: C=C(COCc1ccc(F)cc1)NCCCOc1cccc(CN(CCO)CCc2c[nH]c3ccccc23)c1
• InChI: InChI=1S/C32H38FN3O3/c1-25(23-38-24-26-10-12-29(33)13-11-26)34-15-5-19-39-30-7-4-6-27(20-30)22-36(17-18-37)16-14-28-21-35-32-9-3-2-8-31(28)32/h2-4,6-13,20-21,34-35,37H,1,5,14-19,22-24H2
• InChIKey: HQDGFIMZEQMAJH-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 69.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.67
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	3
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 2-[[3-[3-[3-[(4-fluorophenyl)methoxy]prop-1-en-2-ylamino]propoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethanol?

The IUPAC name of 2-[[3-[3-[3-[(4-fluorophenyl)methoxy]prop-1-en-2-ylamino]propoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethanol (CID 143299484) is 2-[[3-[3-[3-[(4-fluorophenyl)methoxy]prop-1-en-2-ylamino]propoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethanol.

What is the SMILES notation for 2-[[3-[3-[3-[(4-fluorophenyl)methoxy]prop-1-en-2-ylamino]propoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethanol?

The canonical SMILES for 2-[[3-[3-[3-[(4-fluorophenyl)methoxy]prop-1-en-2-ylamino]propoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethanol is C=C(COCc1ccc(F)cc1)NCCCOc1cccc(CN(CCO)CCc2c[nH]c3ccccc23)c1.

What is the InChIKey of 2-[[3-[3-[3-[(4-fluorophenyl)methoxy]prop-1-en-2-ylamino]propoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethanol?

The InChIKey is HQDGFIMZEQMAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FN3O3/c1-25(23-38-24-26-10-12-29(33)13-11-26)34-15-5-19-39-30-7-4-6-27(20-30)22-36(17-18-37)16-14-28-21-35-32-9-3-2-8-31(28)32/h2-4,6-13,20-21,34-35,37H,1,5,14-19,22-24H2.

What are the key properties of 2-[[3-[3-[3-[(4-fluorophenyl)methoxy]prop-1-en-2-ylamino]propoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethanol?

2-[[3-[3-[3-[(4-fluorophenyl)methoxy]prop-1-en-2-ylamino]propoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethanol has a molecular weight of 531.67 g/mol, XLogP of 5.43, 17 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[3-[3-[(4-fluorophenyl)methoxy]prop-1-en-2-ylamino]propoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethanol is sourced from PubChem (CID 143299484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).