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

C14H19F3N2O2 — CID 61259411

IUPAC2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-3-8-13(2,18)12(20)19-9-10-4-6-11(7-5-10)21-14(15,16)17/h4-7H,3,8-9,18H2,1-2H3,(H,19,20)
InChIKeyNORWBNRXWAPTEX-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.72
Rot. Bonds6

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

2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide (PubChem CID 61259411) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
PubChem CID61259411
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-3-8-13(2,18)12(20)19-9-10-4-6-11(7-5-10)21-14(15,16)17/h4-7H,3,8-9,18H2,1-2H3,(H,19,20)
InChIKeyNORWBNRXWAPTEX-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119721542
2-amino-N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119718156
N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide
CID 61258515
2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258868
tert-butyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
CID 63787638
(2S)-2-amino-3,3-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61260128
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258507
3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61258869
2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
CID 79346573
2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 60847510
3-(ethylamino)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 62838028

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide?
The IUPAC name of 2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide (CID 61259411) is 2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide is CCCC(C)(N)C(=O)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide?
The InChIKey is NORWBNRXWAPTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-3-8-13(2,18)12(20)19-9-10-4-6-11(7-5-10)21-14(15,16)17/h4-7H,3,8-9,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide?
2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide has a molecular weight of 304.31 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide is sourced from PubChem (CID 61259411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).