(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide

C15H21F3N2O2 — CID 119701662

IUPAC(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O2/c1-10(2)7-13(19)14(21)20-8-11-3-5-12(6-4-11)22-9-15(16,17)18/h3-6,10,13H,7-9,19H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyRDYZMIVEMUXQJO-ZDUSSCGKSA-N
MW318.34 g/mol
LogP2.62
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide

(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide (PubChem CID 119701662) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
PubChem CID119701662
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O2/c1-10(2)7-13(19)14(21)20-8-11-3-5-12(6-4-11)22-9-15(16,17)18/h3-6,10,13H,7-9,19H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyRDYZMIVEMUXQJO-ZDUSSCGKSA-N
XLogP2.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119277641
(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119699251
(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 103630266
(2S)-2-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methylpentanamide
CID 119723292
(2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride
CID 119712185
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 43042680
(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119707445
2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482
(2S)-2-amino-N-[(4-cyanophenyl)methyl]-4-methylpentanamide
CID 61177955
(2S)-2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpentanamide
CID 71731531
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide (CID 119701662) is (2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide is CC(C)C[C@H](N)C(=O)NCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide?
The InChIKey is RDYZMIVEMUXQJO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-10(2)7-13(19)14(21)20-8-11-3-5-12(6-4-11)22-9-15(16,17)18/h3-6,10,13H,7-9,19H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide?
(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide has a molecular weight of 318.34 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide is sourced from PubChem (CID 119701662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).