1-(3-hydroxypropyl)-2-methyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]indole-7-carboxamide

C26H32F3N3O4 — CID 123248778

About 1-(3-hydroxypropyl)-2-methyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]indole-7-carboxamide

1-(3-hydroxypropyl)-2-methyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]indole-7-carboxamide (PubChem CID 123248778) has the molecular formula C26H32F3N3O4 and a molecular weight of 507.55 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-2-methyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]indole-7-carboxamide.

Molecular Properties

• Compound Name: 1-(3-hydroxypropyl)-2-methyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]indole-7-carboxamide
• PubChem CID: 123248778
• Molecular Formula: C26H32F3N3O4
• Molecular Weight: 507.55 g/mol
• Exact Mass: 507.23
• IUPAC Name: 1-(3-hydroxypropyl)-2-methyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]indole-7-carboxamide
• SMILES: Cc1cc2cc(CC(C)NCCOc3ccccc3OCC(F)(F)F)cc(C(N)=O)c2n1CCCO
• InChI: InChI=1S/C26H32F3N3O4/c1-17(31-8-11-35-22-6-3-4-7-23(22)36-16-26(27,28)29)12-19-14-20-13-18(2)32(9-5-10-33)24(20)21(15-19)25(30)34/h3-4,6-7,13-15,17,31,33H,5,8-12,16H2,1-2H3,(H2,30,34)
• InChIKey: VVPIOQSFFGFNGK-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 98.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.55
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-2-methyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]indole-7-carboxamide?

The IUPAC name of 1-(3-hydroxypropyl)-2-methyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]indole-7-carboxamide (CID 123248778) is 1-(3-hydroxypropyl)-2-methyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]indole-7-carboxamide.

What is the SMILES notation for 1-(3-hydroxypropyl)-2-methyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]indole-7-carboxamide?

The canonical SMILES for 1-(3-hydroxypropyl)-2-methyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]indole-7-carboxamide is Cc1cc2cc(CC(C)NCCOc3ccccc3OCC(F)(F)F)cc(C(N)=O)c2n1CCCO.

What is the InChIKey of 1-(3-hydroxypropyl)-2-methyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]indole-7-carboxamide?

The InChIKey is VVPIOQSFFGFNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N3O4/c1-17(31-8-11-35-22-6-3-4-7-23(22)36-16-26(27,28)29)12-19-14-20-13-18(2)32(9-5-10-33)24(20)21(15-19)25(30)34/h3-4,6-7,13-15,17,31,33H,5,8-12,16H2,1-2H3,(H2,30,34).

What are the key properties of 1-(3-hydroxypropyl)-2-methyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]indole-7-carboxamide?

1-(3-hydroxypropyl)-2-methyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]indole-7-carboxamide has a molecular weight of 507.55 g/mol, XLogP of 3.97, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-hydroxypropyl)-2-methyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]indole-7-carboxamide is sourced from PubChem (CID 123248778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).