N-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide

C12H23F3N2O2 — CID 106140536

IUPACN-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)(CCCN)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-11(2,5-3-6-16)8-17-10(18)4-7-19-9-12(13,14)15/h3-9,16H2,1-2H3,(H,17,18)
InChIKeyFYDXUGHLACPIJY-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.84
Rot. Bonds9

About N-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 106140536) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID106140536
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC NameN-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)(CCCN)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-11(2,5-3-6-16)8-17-10(18)4-7-19-9-12(13,14)15/h3-9,16H2,1-2H3,(H,17,18)
InChIKeyFYDXUGHLACPIJY-UHFFFAOYSA-N
XLogP1.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.84
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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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 106140536) is N-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide is CC(C)(CCCN)CNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is FYDXUGHLACPIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-11(2,5-3-6-16)8-17-10(18)4-7-19-9-12(13,14)15/h3-9,16H2,1-2H3,(H,17,18).
What are the key properties of N-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 284.32 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 106140536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).