N-(2-amino-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide

C12H23F3N2O2 — CID 107158615

IUPACN-(2-amino-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)(C)CC(N)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-11(2,3)6-9(16)7-17-10(18)4-5-19-8-12(13,14)15/h9H,4-8,16H2,1-3H3,(H,17,18)
InChIKeyLIAKWQGKSDEHFV-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.84
Rot. Bonds7

About N-(2-amino-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-amino-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 107158615) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(2-amino-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID107158615
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC NameN-(2-amino-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)(C)CC(N)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-11(2,3)6-9(16)7-17-10(18)4-5-19-8-12(13,14)15/h9H,4-8,16H2,1-3H3,(H,17,18)
InChIKeyLIAKWQGKSDEHFV-UHFFFAOYSA-N
XLogP1.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

N-(4,4-difluorocyclohexyl)-3-ethoxy-2,2-dimethylpropanamide;ethane
CID 171632848
N-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 56784198
3-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide
CID 82810734
3-propoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide
CID 82810860
3-(2,2-Difluoroethoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 103205291
1-[3-(Ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103205292
1-[3-(Propylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103205294
3-(2,2-Difluoroethoxy)-1-[3-(propylamino)piperidin-1-yl]propan-1-one
CID 103205296
N-(1-aminopentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205454
N-(1-aminopentan-3-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103205455
3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide
CID 103206351
3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-3-ylpropanamide
CID 103206364

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-amino-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 107158615) is N-(2-amino-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-amino-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-amino-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide is CC(C)(C)CC(N)CNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(2-amino-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is LIAKWQGKSDEHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-11(2,3)6-9(16)7-17-10(18)4-5-19-8-12(13,14)15/h9H,4-8,16H2,1-3H3,(H,17,18).
What are the key properties of N-(2-amino-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-amino-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 284.32 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 107158615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).