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

C10H18F3N3O3 — CID 103211499

IUPACN-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCCC(NC(=O)CCOCC(F)(F)F)C(N)=NO
InChIInChI=1S/C10H18F3N3O3/c1-2-3-7(9(14)16-18)15-8(17)4-5-19-6-10(11,12)13/h7,18H,2-6H2,1H3,(H2,14,16)(H,15,17)
InChIKeyLTOOWBJRQZVGIJ-UHFFFAOYSA-N
MW285.27 g/mol
LogP0.99
Rot. Bonds8

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

N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103211499) has the molecular formula C10H18F3N3O3 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103211499
Molecular FormulaC10H18F3N3O3
Molecular Weight285.27 g/mol
Exact Mass285.13
IUPAC NameN-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCCC(NC(=O)CCOCC(F)(F)F)C(N)=NO
InChIInChI=1S/C10H18F3N3O3/c1-2-3-7(9(14)16-18)15-8(17)4-5-19-6-10(11,12)13/h7,18H,2-6H2,1H3,(H2,14,16)(H,15,17)
InChIKeyLTOOWBJRQZVGIJ-UHFFFAOYSA-N
XLogP0.99
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103211499) is N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is CCCC(NC(=O)CCOCC(F)(F)F)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is LTOOWBJRQZVGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O3/c1-2-3-7(9(14)16-18)15-8(17)4-5-19-6-10(11,12)13/h7,18H,2-6H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 285.27 g/mol, XLogP of 0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103211499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).