N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxane-4-carboxamide

C14H25NO3 — CID 62527015

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]oxane-4-carboxamide
SMILESCC1CCCC(CO)(NC(=O)C2CCOCC2)C1
InChIInChI=1S/C14H25NO3/c1-11-3-2-6-14(9-11,10-16)15-13(17)12-4-7-18-8-5-12/h11-12,16H,2-10H2,1H3,(H,15,17)
InChIKeyVZCGKCXENHQVGH-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.47
Rot. Bonds3

About N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxane-4-carboxamide

N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxane-4-carboxamide (PubChem CID 62527015) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]oxane-4-carboxamide
PubChem CID62527015
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]oxane-4-carboxamide
SMILESCC1CCCC(CO)(NC(=O)C2CCOCC2)C1
InChIInChI=1S/C14H25NO3/c1-11-3-2-6-14(9-11,10-16)15-13(17)12-4-7-18-8-5-12/h11-12,16H,2-10H2,1H3,(H,15,17)
InChIKeyVZCGKCXENHQVGH-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxane-4-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxane-4-carboxamide (CID 62527015) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxane-4-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxane-4-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxane-4-carboxamide is CC1CCCC(CO)(NC(=O)C2CCOCC2)C1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxane-4-carboxamide?
The InChIKey is VZCGKCXENHQVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11-3-2-6-14(9-11,10-16)15-13(17)12-4-7-18-8-5-12/h11-12,16H,2-10H2,1H3,(H,15,17).
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxane-4-carboxamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxane-4-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxane-4-carboxamide is sourced from PubChem (CID 62527015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).