N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide

C13H23NO3 — CID 62521453

IUPACN-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide
SMILESO=C(NC1(CO)CCCCC1)C1CCOCC1
InChIInChI=1S/C13H23NO3/c15-10-13(6-2-1-3-7-13)14-12(16)11-4-8-17-9-5-11/h11,15H,1-10H2,(H,14,16)
InChIKeyPCUHBDSHEAEZHW-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.22
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide

N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide (PubChem CID 62521453) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide
PubChem CID62521453
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide
SMILESO=C(NC1(CO)CCCCC1)C1CCOCC1
InChIInChI=1S/C13H23NO3/c15-10-13(6-2-1-3-7-13)14-12(16)11-4-8-17-9-5-11/h11,15H,1-10H2,(H,14,16)
InChIKeyPCUHBDSHEAEZHW-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide (CID 62521453) is N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide is O=C(NC1(CO)CCCCC1)C1CCOCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide?
The InChIKey is PCUHBDSHEAEZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-10-13(6-2-1-3-7-13)14-12(16)11-4-8-17-9-5-11/h11,15H,1-10H2,(H,14,16).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide?
N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide is sourced from PubChem (CID 62521453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).