N-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide

C11H21F3N2O2 — CID 106356889

IUPACN-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)C(CCN)NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-8(2)9(3-5-15)16-10(17)4-6-18-7-11(12,13)14/h8-9H,3-7,15H2,1-2H3,(H,16,17)
InChIKeyGFCUAOCUHIGFGN-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.45
Rot. Bonds8

About N-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 106356889) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.30 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID106356889
Molecular FormulaC11H21F3N2O2
Molecular Weight270.30 g/mol
Exact Mass270.16
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)C(CCN)NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-8(2)9(3-5-15)16-10(17)4-6-18-7-11(12,13)14/h8-9H,3-7,15H2,1-2H3,(H,16,17)
InChIKeyGFCUAOCUHIGFGN-UHFFFAOYSA-N
XLogP1.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-chloro-3-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212423
N-(4-amino-1-methoxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 114150665
N-(4-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 81047660
N-(4-chlorobutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212622
N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209514
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205402
N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide
CID 115410172
N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106152917
N-[(2R)-1-hydroxybutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103919727
(2S)-5-amino-5-oxo-2-[3-(2,2,2-trifluoroethoxy)propanoylamino]pentanoic acid
CID 61144339
3-methyl-2-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]butanoic acid
CID 65215233
N-[(2-methylpropan-2-yl)oxy]-3-(2,2,2-trifluoroethoxy)propanamide
CID 82724826

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 106356889) is N-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide is CC(C)C(CCN)NC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is GFCUAOCUHIGFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-8(2)9(3-5-15)16-10(17)4-6-18-7-11(12,13)14/h8-9H,3-7,15H2,1-2H3,(H,16,17).
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 270.30 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 106356889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).