(3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide

C25H29F3N2O — CID 93122569

IUPAC(3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCCCCCNC(=O)C[C@H](c1cccc(C(F)(F)F)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C25H29F3N2O/c1-3-4-5-8-14-29-24(31)16-21(18-10-9-11-19(15-18)25(26,27)28)22-17-30(2)23-13-7-6-12-20(22)23/h6-7,9-13,15,17,21H,3-5,8,14,16H2,1-2H3,(H,29,31)/t21-/m1/s1
InChIKeyAJNLFJCNYVWLGE-OAQYLSRUSA-N
MW430.51 g/mol
LogP6.42
Rot. Bonds9

About (3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide

(3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 93122569) has the molecular formula C25H29F3N2O and a molecular weight of 430.51 g/mol. Its IUPAC name is (3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID93122569
Molecular FormulaC25H29F3N2O
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC Name(3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCCCCCNC(=O)C[C@H](c1cccc(C(F)(F)F)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C25H29F3N2O/c1-3-4-5-8-14-29-24(31)16-21(18-10-9-11-19(15-18)25(26,27)28)22-17-30(2)23-13-7-6-12-20(22)23/h6-7,9-13,15,17,21H,3-5,8,14,16H2,1-2H3,(H,29,31)/t21-/m1/s1
InChIKeyAJNLFJCNYVWLGE-OAQYLSRUSA-N
XLogP6.42
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93122545
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 3336438
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93122572
N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 3602698
N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 5050639
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336287
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42801362
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
3-(1-benzylindol-3-yl)-N-butyl-3-(3-chlorophenyl)propanamide
CID 42777994
N-(2-methoxyethyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 83287622
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
CID 42802923

Frequently Asked Questions

What is the IUPAC name of (3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (CID 93122569) is (3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide is CCCCCCNC(=O)C[C@H](c1cccc(C(F)(F)F)c1)c1cn(C)c2ccccc12.
What is the InChIKey of (3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is AJNLFJCNYVWLGE-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H29F3N2O/c1-3-4-5-8-14-29-24(31)16-21(18-10-9-11-19(15-18)25(26,27)28)22-17-30(2)23-13-7-6-12-20(22)23/h6-7,9-13,15,17,21H,3-5,8,14,16H2,1-2H3,(H,29,31)/t21-/m1/s1.
What are the key properties of (3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
(3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 430.51 g/mol, XLogP of 6.42, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 93122569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).