2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide

C15H21F3N2O2 — CID 119822100

IUPAC2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide
SMILESCCC(C)C(N)C(=O)N(C)Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O2/c1-4-10(2)13(19)14(21)20(3)9-11-6-5-7-12(8-11)22-15(16,17)18/h5-8,10,13H,4,9,19H2,1-3H3
InChIKeySQXLRCFKIDLNTF-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.92
Rot. Bonds6

About 2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide

2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide (PubChem CID 119822100) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide
PubChem CID119822100
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide
SMILESCCC(C)C(N)C(=O)N(C)Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O2/c1-4-10(2)13(19)14(21)20(3)9-11-6-5-7-12(8-11)22-15(16,17)18/h5-8,10,13H,4,9,19H2,1-3H3
InChIKeySQXLRCFKIDLNTF-UHFFFAOYSA-N
XLogP2.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]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

(2R)-2-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119345497
(2S,3S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164196
3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119345484
2-amino-N,3-dimethyl-N-[(3-nitrophenyl)methyl]pentanamide
CID 60944611
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
CID 54869166
(2S,3S)-2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 61259824
2-amino-3-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 116552839
(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61155588
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride
CID 119822111
1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119822061
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride
CID 119683628

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide?
The IUPAC name of 2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide (CID 119822100) is 2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide.
What is the SMILES notation for 2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide?
The canonical SMILES for 2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide is CCC(C)C(N)C(=O)N(C)Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide?
The InChIKey is SQXLRCFKIDLNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-4-10(2)13(19)14(21)20(3)9-11-6-5-7-12(8-11)22-15(16,17)18/h5-8,10,13H,4,9,19H2,1-3H3.
What are the key properties of 2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide?
2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide has a molecular weight of 318.34 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide is sourced from PubChem (CID 119822100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).