N-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide

C11H19NO4 — CID 43427952

IUPACN-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1COCCO1
InChIInChI=1S/C11H19NO4/c13-9-3-1-8(2-4-9)12-11(14)10-7-15-5-6-16-10/h8-10,13H,1-7H2,(H,12,14)
InChIKeyUBESUIAACXFNHR-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.18
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide

N-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide (PubChem CID 43427952) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide
PubChem CID43427952
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC NameN-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1COCCO1
InChIInChI=1S/C11H19NO4/c13-9-3-1-8(2-4-9)12-11(14)10-7-15-5-6-16-10/h8-10,13H,1-7H2,(H,12,14)
InChIKeyUBESUIAACXFNHR-UHFFFAOYSA-N
XLogP-0.18
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-1,4-dioxane-2-carboxamide
CID 43662827
N-(1-tert-butylpiperidin-4-yl)-1,4-dioxane-2-carboxamide
CID 47340962
3-(1,4-dioxane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 63044373
N-(4-bromooxolan-3-yl)-1,4-dioxane-2-carboxamide
CID 130751499
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
N-cyclohexyloxirane-2-carboxamide
CID 560327
(2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide
CID 95137904
(2S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide
CID 95137019
N-(oxan-4-yl)oxolane-2-carboxamide
CID 110726803
N-methoxy-1,4-dioxane-2-carboxamide
CID 60756146
N-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide
CID 113241320
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide (CID 43427952) is N-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide is O=C(NC1CCC(O)CC1)C1COCCO1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide?
The InChIKey is UBESUIAACXFNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c13-9-3-1-8(2-4-9)12-11(14)10-7-15-5-6-16-10/h8-10,13H,1-7H2,(H,12,14).
What are the key properties of N-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide?
N-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 43427952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).