N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide

C12H20F3N3O3 — CID 103211490

IUPACN-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC(=NO)C(NC(=O)COCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H20F3N3O3/c13-12(14,15)7-21-6-9(19)17-10(11(16)18-20)8-4-2-1-3-5-8/h8,10,20H,1-7H2,(H2,16,18)(H,17,19)
InChIKeyJLGUKRLSTGUPOX-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.38
Rot. Bonds6

About N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103211490) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103211490
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC NameN-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC(=NO)C(NC(=O)COCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H20F3N3O3/c13-12(14,15)7-21-6-9(19)17-10(11(16)18-20)8-4-2-1-3-5-8/h8,10,20H,1-7H2,(H2,16,18)(H,17,19)
InChIKeyJLGUKRLSTGUPOX-UHFFFAOYSA-N
XLogP1.38
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.38
H-Bond Donors ≤ 53
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-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103211490) is N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide is NC(=NO)C(NC(=O)COCC(F)(F)F)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is JLGUKRLSTGUPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c13-12(14,15)7-21-6-9(19)17-10(11(16)18-20)8-4-2-1-3-5-8/h8,10,20H,1-7H2,(H2,16,18)(H,17,19).
What are the key properties of N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 311.30 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103211490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).