N-[5-(diethylamino)pentan-2-yl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide

C35H42F3N3O — CID 83277979

About N-[5-(diethylamino)pentan-2-yl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide

N-[5-(diethylamino)pentan-2-yl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 83277979) has the molecular formula C35H42F3N3O and a molecular weight of 577.74 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

• Compound Name: N-[5-(diethylamino)pentan-2-yl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
• PubChem CID: 83277979
• Molecular Formula: C35H42F3N3O
• Molecular Weight: 577.74 g/mol
• Exact Mass: 577.33
• IUPAC Name: N-[5-(diethylamino)pentan-2-yl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
• SMILES: CCN(CC)CCCC(C)NC(=O)CC(c1cccc(C(F)(F)F)c1)c1cn(Cc2ccc(C)cc2)c2ccccc12
• InChI: InChI=1S/C35H42F3N3O/c1-5-40(6-2)20-10-11-26(4)39-34(42)22-31(28-12-9-13-29(21-28)35(36,37)38)32-24-41(33-15-8-7-14-30(32)33)23-27-18-16-25(3)17-19-27/h7-9,12-19,21,24,26,31H,5-6,10-11,20,22-23H2,1-4H3,(H,39,42)
• InChIKey: HMZABCSOXPZFOD-UHFFFAOYSA-N
• XLogP: 8.17
• TPSA: 37.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.74
LogP ≤ 5	8.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide?

The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide (CID 83277979) is N-[5-(diethylamino)pentan-2-yl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide.

What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide?

The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide is CCN(CC)CCCC(C)NC(=O)CC(c1cccc(C(F)(F)F)c1)c1cn(Cc2ccc(C)cc2)c2ccccc12.

What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide?

The InChIKey is HMZABCSOXPZFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42F3N3O/c1-5-40(6-2)20-10-11-26(4)39-34(42)22-31(28-12-9-13-29(21-28)35(36,37)38)32-24-41(33-15-8-7-14-30(32)33)23-27-18-16-25(3)17-19-27/h7-9,12-19,21,24,26,31H,5-6,10-11,20,22-23H2,1-4H3,(H,39,42).

What are the key properties of N-[5-(diethylamino)pentan-2-yl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide?

N-[5-(diethylamino)pentan-2-yl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 577.74 g/mol, XLogP of 8.17, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(diethylamino)pentan-2-yl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 83277979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).