(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide

C14H19F3N2O — CID 103630266

IUPAC(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-9(2)7-12(18)13(20)19-8-10-3-5-11(6-4-10)14(15,16)17/h3-6,9,12H,7-8,18H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyASZRWNHURZAODO-GFCCVEGCSA-N
MW288.31 g/mol
LogP2.69
Rot. Bonds5

About (2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide

(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide (PubChem CID 103630266) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
PubChem CID103630266
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-9(2)7-12(18)13(20)19-8-10-3-5-11(6-4-10)14(15,16)17/h3-6,9,12H,7-8,18H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyASZRWNHURZAODO-GFCCVEGCSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)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

(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119707445
(2S)-2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpentanamide
CID 71731531
(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119701662
(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119699251
(2S)-2-[[(3S)-3-amino-4-oxo-4-[[4-(trifluoromethyl)phenyl]methylamino]butanoyl]amino]propanoic acid
CID 11394327
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482
2-amino-3-(4-hydroxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 175450549
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide
CID 104903275
3-amino-2-methyl-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880982
(2S)-2-amino-N-[(4-cyanophenyl)methyl]-4-methylpentanamide
CID 61177955
tert-butyl (4R)-4-amino-5-oxo-5-[[4-(trifluoromethyl)phenyl]methylamino]pentanoate
CID 155164381

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide (CID 103630266) is (2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide is CC(C)C[C@@H](N)C(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide?
The InChIKey is ASZRWNHURZAODO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-9(2)7-12(18)13(20)19-8-10-3-5-11(6-4-10)14(15,16)17/h3-6,9,12H,7-8,18H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide?
(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide has a molecular weight of 288.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide is sourced from PubChem (CID 103630266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).