N-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide

C12H21NO4 — CID 113241320

IUPACN-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide
SMILESO=C(NCC1CCCC(O)C1)C1COCCO1
InChIInChI=1S/C12H21NO4/c14-10-3-1-2-9(6-10)7-13-12(15)11-8-16-4-5-17-11/h9-11,14H,1-8H2,(H,13,15)
InChIKeyNFEKBBYENHGUMX-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.07
Rot. Bonds3

About N-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide

N-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide (PubChem CID 113241320) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide
PubChem CID113241320
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide
SMILESO=C(NCC1CCCC(O)C1)C1COCCO1
InChIInChI=1S/C12H21NO4/c14-10-3-1-2-9(6-10)7-13-12(15)11-8-16-4-5-17-11/h9-11,14H,1-8H2,(H,13,15)
InChIKeyNFEKBBYENHGUMX-UHFFFAOYSA-N
XLogP0.07
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorocyclohexyl)methyl]-1,4-dioxane-2-carboxamide
CID 106131913
N-[(2-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide
CID 64911345
N-[(2-chlorocyclohexyl)methyl]-1,4-dioxane-2-carboxamide
CID 114301649
N-[(3-hydroxycyclopentyl)methyl]morpholine-2-carboxamide
CID 106134080
3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 104530465
N-[(3-hydroxycyclopentyl)methyl]cyclopropanecarboxamide
CID 103280320
N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide
CID 103712034
N-(2-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide
CID 62799919
N-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide
CID 43427952
N-[2-(cycloheptylamino)ethyl]-1,4-dioxane-2-carboxamide
CID 81424330
N-(2-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 81424788
N-[3-(2-bromoethoxy)propyl]-1,4-dioxane-2-carboxamide
CID 106307776

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide (CID 113241320) is N-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide is O=C(NCC1CCCC(O)C1)C1COCCO1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide?
The InChIKey is NFEKBBYENHGUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c14-10-3-1-2-9(6-10)7-13-12(15)11-8-16-4-5-17-11/h9-11,14H,1-8H2,(H,13,15).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide has a molecular weight of 243.30 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 113241320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).