6-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydro-1H-indole-7-carboxamide

C25H32F3N3O4 — CID 176652848

About 6-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydro-1H-indole-7-carboxamide

6-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydro-1H-indole-7-carboxamide (PubChem CID 176652848) has the molecular formula C25H32F3N3O4 and a molecular weight of 495.54 g/mol. Its IUPAC name is 6-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydro-1H-indole-7-carboxamide.

Molecular Properties

• Compound Name: 6-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydro-1H-indole-7-carboxamide
• PubChem CID: 176652848
• Molecular Formula: C25H32F3N3O4
• Molecular Weight: 495.54 g/mol
• Exact Mass: 495.23
• IUPAC Name: 6-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydro-1H-indole-7-carboxamide
• SMILES: C[C@H](Cc1cc2c(c(C(N)=O)c1CCCO)NCC2)NCCOc1ccccc1OCC(F)(F)F
• InChI: InChI=1S/C25H32F3N3O4/c1-16(30-10-12-34-20-6-2-3-7-21(20)35-15-25(26,27)28)13-18-14-17-8-9-31-23(17)22(24(29)33)19(18)5-4-11-32/h2-3,6-7,14,16,30-32H,4-5,8-13,15H2,1H3,(H2,29,33)/t16-/m1/s1
• InChIKey: MUVHMNWKIJYOQY-MRXNPFEDSA-N
• XLogP: 3.22
• TPSA: 105.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.54
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	4
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 6-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydro-1H-indole-7-carboxamide?

The IUPAC name of 6-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydro-1H-indole-7-carboxamide (CID 176652848) is 6-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydro-1H-indole-7-carboxamide.

What is the SMILES notation for 6-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydro-1H-indole-7-carboxamide?

The canonical SMILES for 6-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydro-1H-indole-7-carboxamide is C[C@H](Cc1cc2c(c(C(N)=O)c1CCCO)NCC2)NCCOc1ccccc1OCC(F)(F)F.

What is the InChIKey of 6-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydro-1H-indole-7-carboxamide?

The InChIKey is MUVHMNWKIJYOQY-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H32F3N3O4/c1-16(30-10-12-34-20-6-2-3-7-21(20)35-15-25(26,27)28)13-18-14-17-8-9-31-23(17)22(24(29)33)19(18)5-4-11-32/h2-3,6-7,14,16,30-32H,4-5,8-13,15H2,1H3,(H2,29,33)/t16-/m1/s1.

What are the key properties of 6-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydro-1H-indole-7-carboxamide?

6-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydro-1H-indole-7-carboxamide has a molecular weight of 495.54 g/mol, XLogP of 3.22, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydro-1H-indole-7-carboxamide is sourced from PubChem (CID 176652848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).