N-[5-[2-(4-hydroxyphenyl)ethylamino]-1-(1-methylindol-3-yl)-5-oxopentan-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide

C32H31F6N3O3 — CID 54094031

About N-[5-[2-(4-hydroxyphenyl)ethylamino]-1-(1-methylindol-3-yl)-5-oxopentan-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide

N-[5-[2-(4-hydroxyphenyl)ethylamino]-1-(1-methylindol-3-yl)-5-oxopentan-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide (PubChem CID 54094031) has the molecular formula C32H31F6N3O3 and a molecular weight of 619.61 g/mol. Its IUPAC name is N-[5-[2-(4-hydroxyphenyl)ethylamino]-1-(1-methylindol-3-yl)-5-oxopentan-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[5-[2-(4-hydroxyphenyl)ethylamino]-1-(1-methylindol-3-yl)-5-oxopentan-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
• PubChem CID: 54094031
• Molecular Formula: C32H31F6N3O3
• Molecular Weight: 619.61 g/mol
• Exact Mass: 619.23
• IUPAC Name: N-[5-[2-(4-hydroxyphenyl)ethylamino]-1-(1-methylindol-3-yl)-5-oxopentan-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
• SMILES: CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCC(=O)NCCc1ccc(O)cc1)Cc1cn(C)c2ccccc12
• InChI: InChI=1S/C32H31F6N3O3/c1-40-19-22(27-5-3-4-6-28(27)40)17-25(9-12-29(43)39-14-13-20-7-10-26(42)11-8-20)41(2)30(44)21-15-23(31(33,34)35)18-24(16-21)32(36,37)38/h3-8,10-11,15-16,18-19,25,42H,9,12-14,17H2,1-2H3,(H,39,43)
• InChIKey: MVVFCGIHVNQWJT-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 74.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.61
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-hydroxyphenyl)ethylamino]-1-(1-methylindol-3-yl)-5-oxopentan-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?

The IUPAC name of N-[5-[2-(4-hydroxyphenyl)ethylamino]-1-(1-methylindol-3-yl)-5-oxopentan-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide (CID 54094031) is N-[5-[2-(4-hydroxyphenyl)ethylamino]-1-(1-methylindol-3-yl)-5-oxopentan-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide.

What is the SMILES notation for N-[5-[2-(4-hydroxyphenyl)ethylamino]-1-(1-methylindol-3-yl)-5-oxopentan-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?

The canonical SMILES for N-[5-[2-(4-hydroxyphenyl)ethylamino]-1-(1-methylindol-3-yl)-5-oxopentan-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide is CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCC(=O)NCCc1ccc(O)cc1)Cc1cn(C)c2ccccc12.

What is the InChIKey of N-[5-[2-(4-hydroxyphenyl)ethylamino]-1-(1-methylindol-3-yl)-5-oxopentan-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?

The InChIKey is MVVFCGIHVNQWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F6N3O3/c1-40-19-22(27-5-3-4-6-28(27)40)17-25(9-12-29(43)39-14-13-20-7-10-26(42)11-8-20)41(2)30(44)21-15-23(31(33,34)35)18-24(16-21)32(36,37)38/h3-8,10-11,15-16,18-19,25,42H,9,12-14,17H2,1-2H3,(H,39,43).

What are the key properties of N-[5-[2-(4-hydroxyphenyl)ethylamino]-1-(1-methylindol-3-yl)-5-oxopentan-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?

N-[5-[2-(4-hydroxyphenyl)ethylamino]-1-(1-methylindol-3-yl)-5-oxopentan-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 619.61 g/mol, XLogP of 6.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(4-hydroxyphenyl)ethylamino]-1-(1-methylindol-3-yl)-5-oxopentan-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 54094031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).