5-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide

C8H15F3N2O2 — CID 82722190

IUPAC5-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide
SMILESCC(CN)CCC(=O)NOCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-6(4-12)2-3-7(14)13-15-5-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14)
InChIKeyNUUJKUKNDUNJJN-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.97
Rot. Bonds6

About 5-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide

5-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide (PubChem CID 82722190) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 5-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide
PubChem CID82722190
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name5-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide
SMILESCC(CN)CCC(=O)NOCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-6(4-12)2-3-7(14)13-15-5-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14)
InChIKeyNUUJKUKNDUNJJN-UHFFFAOYSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106152917
5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 82013742
3-(ethylamino)-N-(2,2,2-trifluoroethoxy)butanamide
CID 82721459
N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide
CID 115410172
methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate
CID 82011707
5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 82012105
2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate
CID 83210908
N-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide
CID 106153392
1-methyl-3-(2,2,2-trifluoroethoxy)urea
CID 115704057
2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide
CID 81340409
(2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide
CID 104903880
3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82687956

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide?
The IUPAC name of 5-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide (CID 82722190) is 5-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide is CC(CN)CCC(=O)NOCC(F)(F)F.
What is the InChIKey of 5-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide?
The InChIKey is NUUJKUKNDUNJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-6(4-12)2-3-7(14)13-15-5-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14).
What are the key properties of 5-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide?
5-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide has a molecular weight of 228.21 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide is sourced from PubChem (CID 82722190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).