N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide

C14H25NO3 — CID 112702852

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide
SMILESO=C(NCC1(CO)CCCCC1)C1CCCCO1
InChIInChI=1S/C14H25NO3/c16-11-14(7-3-1-4-8-14)10-15-13(17)12-6-2-5-9-18-12/h12,16H,1-11H2,(H,15,17)
InChIKeyNCFHZHUORNFRIK-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.61
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide (PubChem CID 112702852) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide
PubChem CID112702852
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide
SMILESO=C(NCC1(CO)CCCCC1)C1CCCCO1
InChIInChI=1S/C14H25NO3/c16-11-14(7-3-1-4-8-14)10-15-13(17)12-6-2-5-9-18-12/h12,16H,1-11H2,(H,15,17)
InChIKeyNCFHZHUORNFRIK-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide
CID 65123536
N-[(1-hydroxycyclopentyl)methyl]oxane-2-carboxamide
CID 65113697
2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 104855883
2-[1-[(oxolane-2-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81163593
1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104855915
(2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide
CID 113342862
(2R,5S)-5-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945543
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide
CID 112700992
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide
CID 65119023
N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide
CID 114760680
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
(2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
CID 97100966

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide (CID 112702852) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide is O=C(NCC1(CO)CCCCC1)C1CCCCO1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide?
The InChIKey is NCFHZHUORNFRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c16-11-14(7-3-1-4-8-14)10-15-13(17)12-6-2-5-9-18-12/h12,16H,1-11H2,(H,15,17).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide is sourced from PubChem (CID 112702852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).