N-tert-butyl-2-(4-hydroxyiminocyclohexyl)oxypropanamide

C13H24N2O3 — CID 113414229

IUPACN-tert-butyl-2-(4-hydroxyiminocyclohexyl)oxypropanamide
SMILESCC(OC1CCC(=NO)CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-9(12(16)14-13(2,3)4)18-11-7-5-10(15-17)6-8-11/h9,11,17H,5-8H2,1-4H3,(H,14,16)/b15-10-
InChIKeyUNGUQYZDYPHWRV-GDNBJRDFSA-N
MW256.35 g/mol
LogP2.08
Rot. Bonds3

About N-tert-butyl-2-(4-hydroxyiminocyclohexyl)oxypropanamide

N-tert-butyl-2-(4-hydroxyiminocyclohexyl)oxypropanamide (PubChem CID 113414229) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-tert-butyl-2-(4-hydroxyiminocyclohexyl)oxypropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-hydroxyiminocyclohexyl)oxypropanamide
PubChem CID113414229
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-tert-butyl-2-(4-hydroxyiminocyclohexyl)oxypropanamide
SMILESCC(OC1CCC(=NO)CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-9(12(16)14-13(2,3)4)18-11-7-5-10(15-17)6-8-11/h9,11,17H,5-8H2,1-4H3,(H,14,16)/b15-10-
InChIKeyUNGUQYZDYPHWRV-GDNBJRDFSA-N
XLogP2.08
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-tert-butyl-2-(4-hydroxyiminocyclohexyl)oxypropanamide?
The IUPAC name of N-tert-butyl-2-(4-hydroxyiminocyclohexyl)oxypropanamide (CID 113414229) is N-tert-butyl-2-(4-hydroxyiminocyclohexyl)oxypropanamide.
What is the SMILES notation for N-tert-butyl-2-(4-hydroxyiminocyclohexyl)oxypropanamide?
The canonical SMILES for N-tert-butyl-2-(4-hydroxyiminocyclohexyl)oxypropanamide is CC(OC1CCC(=NO)CC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(4-hydroxyiminocyclohexyl)oxypropanamide?
The InChIKey is UNGUQYZDYPHWRV-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(12(16)14-13(2,3)4)18-11-7-5-10(15-17)6-8-11/h9,11,17H,5-8H2,1-4H3,(H,14,16)/b15-10-.
What are the key properties of N-tert-butyl-2-(4-hydroxyiminocyclohexyl)oxypropanamide?
N-tert-butyl-2-(4-hydroxyiminocyclohexyl)oxypropanamide has a molecular weight of 256.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-hydroxyiminocyclohexyl)oxypropanamide is sourced from PubChem (CID 113414229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).