2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]oxyacetamide

C11H20N2O2 — CID 103277030

IUPAC2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]oxyacetamide
SMILESCC1=CC(C)CC(CNOCC(N)=O)C1
InChIInChI=1S/C11H20N2O2/c1-8-3-9(2)5-10(4-8)6-13-15-7-11(12)14/h3,8,10,13H,4-7H2,1-2H3,(H2,12,14)
InChIKeyQAHBNMRXPCEEEV-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.99
Rot. Bonds5

About 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]oxyacetamide

2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]oxyacetamide (PubChem CID 103277030) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]oxyacetamide
PubChem CID103277030
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]oxyacetamide
SMILESCC1=CC(C)CC(CNOCC(N)=O)C1
InChIInChI=1S/C11H20N2O2/c1-8-3-9(2)5-10(4-8)6-13-15-7-11(12)14/h3,8,10,13H,4-7H2,1-2H3,(H2,12,14)
InChIKeyQAHBNMRXPCEEEV-UHFFFAOYSA-N
XLogP0.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethylcyclohex-3-en-1-yl)-N-ethoxymethanamine
CID 103276995
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(2-methylpropoxy)methanamine
CID 103276997
2-(2-Bicyclo[2.2.1]hept-5-enylmethylamino)oxyacetamide
CID 112673116
2-(Cyclohex-3-en-1-ylmethylamino)oxyacetamide
CID 112673121

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]oxyacetamide?
The IUPAC name of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]oxyacetamide (CID 103277030) is 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]oxyacetamide.
What is the SMILES notation for 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]oxyacetamide?
The canonical SMILES for 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]oxyacetamide is CC1=CC(C)CC(CNOCC(N)=O)C1.
What is the InChIKey of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]oxyacetamide?
The InChIKey is QAHBNMRXPCEEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-3-9(2)5-10(4-8)6-13-15-7-11(12)14/h3,8,10,13H,4-7H2,1-2H3,(H2,12,14).
What are the key properties of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]oxyacetamide?
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]oxyacetamide has a molecular weight of 212.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]oxyacetamide is sourced from PubChem (CID 103277030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).