N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide

C13H23NO3 — CID 64911747

IUPACN-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide
SMILESO=C(NCC1CCCCC1O)C1CCCOC1
InChIInChI=1S/C13H23NO3/c15-12-6-2-1-4-10(12)8-14-13(16)11-5-3-7-17-9-11/h10-12,15H,1-9H2,(H,14,16)
InChIKeyOKCSKACMZQSRNO-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.08
Rot. Bonds3

About N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide

N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide (PubChem CID 64911747) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide
PubChem CID64911747
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide
SMILESO=C(NCC1CCCCC1O)C1CCCOC1
InChIInChI=1S/C13H23NO3/c15-12-6-2-1-4-10(12)8-14-13(16)11-5-3-7-17-9-11/h10-12,15H,1-9H2,(H,14,16)
InChIKeyOKCSKACMZQSRNO-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 64928899
N-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide
CID 114317134
N-[(2-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide
CID 64911345
4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673772
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
4-amino-N-[(2-hydroxycyclohexyl)methyl]oxolane-3-carboxamide
CID 66235488
N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide
CID 114313897
N-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide
CID 64911749
N-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79002982
N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79208729
N-(4-iodobutyl)oxane-3-carboxamide
CID 106846215
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide
CID 111115377

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide (CID 64911747) is N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide is O=C(NCC1CCCCC1O)C1CCCOC1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide?
The InChIKey is OKCSKACMZQSRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-12-6-2-1-4-10(12)8-14-13(16)11-5-3-7-17-9-11/h10-12,15H,1-9H2,(H,14,16).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide is sourced from PubChem (CID 64911747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).