N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

C12H20F3N3O2 — CID 104622544

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(C(N)=NO)N(C)C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H20F3N3O2/c1-7(10(16)17-20)18(2)11(19)8-5-3-4-6-9(8)12(13,14)15/h7-9,20H,3-6H2,1-2H3,(H2,16,17)
InChIKeyCJYZCAKDTJIMSC-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.95
Rot. Bonds3

About N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 104622544) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID104622544
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(C(N)=NO)N(C)C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H20F3N3O2/c1-7(10(16)17-20)18(2)11(19)8-5-3-4-6-9(8)12(13,14)15/h7-9,20H,3-6H2,1-2H3,(H2,16,17)
InChIKeyCJYZCAKDTJIMSC-UHFFFAOYSA-N
XLogP1.95
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 104622544) is N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is CC(C(N)=NO)N(C)C(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is CJYZCAKDTJIMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-7(10(16)17-20)18(2)11(19)8-5-3-4-6-9(8)12(13,14)15/h7-9,20H,3-6H2,1-2H3,(H2,16,17).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104622544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).