N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide

C11H20F3N3O3 — CID 103211549

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)CN(CCC(N)=NO)C(=O)COCC(F)(F)F
InChIInChI=1S/C11H20F3N3O3/c1-8(2)5-17(4-3-9(15)16-19)10(18)6-20-7-11(12,13)14/h8,19H,3-7H2,1-2H3,(H2,15,16)
InChIKeyHIEDYOMNAOPDAG-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.19
Rot. Bonds8

About N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103211549) has the molecular formula C11H20F3N3O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103211549
Molecular FormulaC11H20F3N3O3
Molecular Weight299.29 g/mol
Exact Mass299.15
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)CN(CCC(N)=NO)C(=O)COCC(F)(F)F
InChIInChI=1S/C11H20F3N3O3/c1-8(2)5-17(4-3-9(15)16-19)10(18)6-20-7-11(12,13)14/h8,19H,3-7H2,1-2H3,(H2,15,16)
InChIKeyHIEDYOMNAOPDAG-UHFFFAOYSA-N
XLogP1.19
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103211549) is N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)CN(CCC(N)=NO)C(=O)COCC(F)(F)F.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is HIEDYOMNAOPDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3/c1-8(2)5-17(4-3-9(15)16-19)10(18)6-20-7-11(12,13)14/h8,19H,3-7H2,1-2H3,(H2,15,16).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 299.29 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103211549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).