5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide

C15H21F3N2O — CID 82013742

IUPAC5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
SMILESCC(CN)CCC(=O)NC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-10(9-19)3-8-14(21)20-11(2)12-4-6-13(7-5-12)15(16,17)18/h4-7,10-11H,3,8-9,19H2,1-2H3,(H,20,21)
InChIKeyZWFLUIMZVNLJAU-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.26
Rot. Bonds6

About 5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide

5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide (PubChem CID 82013742) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
PubChem CID82013742
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
SMILESCC(CN)CCC(=O)NC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-10(9-19)3-8-14(21)20-11(2)12-4-6-13(7-5-12)15(16,17)18/h4-7,10-11H,3,8-9,19H2,1-2H3,(H,20,21)
InChIKeyZWFLUIMZVNLJAU-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 113385199
5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 82010904
5-amino-N-[1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 82011641
5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 82016946
2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 43711973
3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119949428
3-(pyrimidin-2-ylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 47054884
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82010864
(2S)-2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79024381
2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 43711976
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 46449013

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide?
The IUPAC name of 5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide (CID 82013742) is 5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide is CC(CN)CCC(=O)NC(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide?
The InChIKey is ZWFLUIMZVNLJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-10(9-19)3-8-14(21)20-11(2)12-4-6-13(7-5-12)15(16,17)18/h4-7,10-11H,3,8-9,19H2,1-2H3,(H,20,21).
What are the key properties of 5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide?
5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide has a molecular weight of 302.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide is sourced from PubChem (CID 82013742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).