N-(2,2-dimethoxyethyl)cyclohexanecarboxamide

C11H21NO3 — CID 60653162

IUPACN-(2,2-dimethoxyethyl)cyclohexanecarboxamide
SMILESCOC(CNC(=O)C1CCCCC1)OC
InChIInChI=1S/C11H21NO3/c1-14-10(15-2)8-12-11(13)9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyXVEYDWRGOWUTKL-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.30
Rot. Bonds5

About N-(2,2-dimethoxyethyl)cyclohexanecarboxamide

N-(2,2-dimethoxyethyl)cyclohexanecarboxamide (PubChem CID 60653162) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)cyclohexanecarboxamide
PubChem CID60653162
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-(2,2-dimethoxyethyl)cyclohexanecarboxamide
SMILESCOC(CNC(=O)C1CCCCC1)OC
InChIInChI=1S/C11H21NO3/c1-14-10(15-2)8-12-11(13)9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyXVEYDWRGOWUTKL-UHFFFAOYSA-N
XLogP1.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)cyclohexanecarboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)cyclohexanecarboxamide (CID 60653162) is N-(2,2-dimethoxyethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)cyclohexanecarboxamide is COC(CNC(=O)C1CCCCC1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)cyclohexanecarboxamide?
The InChIKey is XVEYDWRGOWUTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-14-10(15-2)8-12-11(13)9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-(2,2-dimethoxyethyl)cyclohexanecarboxamide?
N-(2,2-dimethoxyethyl)cyclohexanecarboxamide has a molecular weight of 215.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)cyclohexanecarboxamide is sourced from PubChem (CID 60653162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).