N-(4-hydroxycyclohexyl)-2,2-dimethoxyacetamide

C10H19NO4 — CID 135025454

IUPACN-(4-hydroxycyclohexyl)-2,2-dimethoxyacetamide
SMILESCOC(OC)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C10H19NO4/c1-14-10(15-2)9(13)11-7-3-5-8(12)6-4-7/h7-8,10,12H,3-6H2,1-2H3,(H,11,13)
InChIKeyDEKYAXSXCDGBGO-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.03
Rot. Bonds4

About N-(4-hydroxycyclohexyl)-2,2-dimethoxyacetamide

N-(4-hydroxycyclohexyl)-2,2-dimethoxyacetamide (PubChem CID 135025454) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2,2-dimethoxyacetamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2,2-dimethoxyacetamide
PubChem CID135025454
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-(4-hydroxycyclohexyl)-2,2-dimethoxyacetamide
SMILESCOC(OC)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C10H19NO4/c1-14-10(15-2)9(13)11-7-3-5-8(12)6-4-7/h7-8,10,12H,3-6H2,1-2H3,(H,11,13)
InChIKeyDEKYAXSXCDGBGO-UHFFFAOYSA-N
XLogP0.03
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-hydroxycyclohexyl)-2,2-dimethoxyacetamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2,2-dimethoxyacetamide (CID 135025454) is N-(4-hydroxycyclohexyl)-2,2-dimethoxyacetamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2,2-dimethoxyacetamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2,2-dimethoxyacetamide is COC(OC)C(=O)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2,2-dimethoxyacetamide?
The InChIKey is DEKYAXSXCDGBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-14-10(15-2)9(13)11-7-3-5-8(12)6-4-7/h7-8,10,12H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-(4-hydroxycyclohexyl)-2,2-dimethoxyacetamide?
N-(4-hydroxycyclohexyl)-2,2-dimethoxyacetamide has a molecular weight of 217.26 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2,2-dimethoxyacetamide is sourced from PubChem (CID 135025454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).