2-[(2,4,4-trimethylcyclohexyl)amino]oxyacetamide

C11H22N2O2 — CID 112673312

IUPAC2-[(2,4,4-trimethylcyclohexyl)amino]oxyacetamide
SMILESCC1CC(C)(C)CCC1NOCC(N)=O
InChIInChI=1S/C11H22N2O2/c1-8-6-11(2,3)5-4-9(8)13-15-7-10(12)14/h8-9,13H,4-7H2,1-3H3,(H2,12,14)
InChIKeyAFQGBCHPAWQMOJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.21
Rot. Bonds4

About 2-[(2,4,4-trimethylcyclohexyl)amino]oxyacetamide

2-[(2,4,4-trimethylcyclohexyl)amino]oxyacetamide (PubChem CID 112673312) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[(2,4,4-trimethylcyclohexyl)amino]oxyacetamide.

Molecular Properties

Compound Name2-[(2,4,4-trimethylcyclohexyl)amino]oxyacetamide
PubChem CID112673312
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[(2,4,4-trimethylcyclohexyl)amino]oxyacetamide
SMILESCC1CC(C)(C)CCC1NOCC(N)=O
InChIInChI=1S/C11H22N2O2/c1-8-6-11(2,3)5-4-9(8)13-15-7-10(12)14/h8-9,13H,4-7H2,1-3H3,(H2,12,14)
InChIKeyAFQGBCHPAWQMOJ-UHFFFAOYSA-N
XLogP1.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4,4-dimethylcyclohexyl)amino]oxyacetamide
CID 112672857
N-(2-methoxyethoxy)-2,4,4-trimethylcyclohexan-1-amine
CID 82714886
2-[3-[(2,4,4-trimethylcyclohexyl)amino]phenoxy]acetamide
CID 81302858
N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide
CID 162401417
3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide
CID 119819051
N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 79670640
3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride
CID 119819050
(2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride
CID 119343794
2-[(2,4,4-trimethylcyclohexyl)amino]propanoic acid
CID 81321434
N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81321267
2-(cyclopropylamino)oxyacetamide
CID 103439345
1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea
CID 111751169

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,4-trimethylcyclohexyl)amino]oxyacetamide?
The IUPAC name of 2-[(2,4,4-trimethylcyclohexyl)amino]oxyacetamide (CID 112673312) is 2-[(2,4,4-trimethylcyclohexyl)amino]oxyacetamide.
What is the SMILES notation for 2-[(2,4,4-trimethylcyclohexyl)amino]oxyacetamide?
The canonical SMILES for 2-[(2,4,4-trimethylcyclohexyl)amino]oxyacetamide is CC1CC(C)(C)CCC1NOCC(N)=O.
What is the InChIKey of 2-[(2,4,4-trimethylcyclohexyl)amino]oxyacetamide?
The InChIKey is AFQGBCHPAWQMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8-6-11(2,3)5-4-9(8)13-15-7-10(12)14/h8-9,13H,4-7H2,1-3H3,(H2,12,14).
What are the key properties of 2-[(2,4,4-trimethylcyclohexyl)amino]oxyacetamide?
2-[(2,4,4-trimethylcyclohexyl)amino]oxyacetamide has a molecular weight of 214.31 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,4-trimethylcyclohexyl)amino]oxyacetamide is sourced from PubChem (CID 112673312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).