N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide

C11H20N2O3 — CID 107180286

IUPACN-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)NOCC(N)=O
InChIInChI=1S/C11H20N2O3/c1-11(2)6-4-3-5-8(11)10(15)13-16-7-9(12)14/h8H,3-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyIAUQXXVCQWYEGY-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.74
Rot. Bonds4

About N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide

N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107180286) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107180286
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)NOCC(N)=O
InChIInChI=1S/C11H20N2O3/c1-11(2)6-4-3-5-8(11)10(15)13-16-7-9(12)14/h8H,3-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyIAUQXXVCQWYEGY-UHFFFAOYSA-N
XLogP0.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.74
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-cyclopropyl-N-methoxy-1-methylcyclohexane-1-carboxamide
CID 134993871
N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 75447899
cis-(1R,2S)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 97339838
trans-(1R,2R)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 97339839
trans-(1S,2S)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 97339840
cis-(1S,2R)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 97339841
2,2-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide
CID 113927568
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
N-methoxy-1,2-dimethylcyclohexane-1-carboxamide
CID 87952246
N-ethoxy-3,4-dimethylcyclohexane-1-carboxamide
CID 129127202
N-ethoxy-2-[1-[2-(ethoxyamino)-2-oxoethyl]cyclohexyl]acetamide
CID 60265813
4-tert-butyl-N-ethoxycyclohexane-1-carboxamide
CID 60717621

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide (CID 107180286) is N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide is CC1(C)CCCCC1C(=O)NOCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is IAUQXXVCQWYEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2)6-4-3-5-8(11)10(15)13-16-7-9(12)14/h8H,3-7H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide?
N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107180286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).