N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide

C15H27NO3 — CID 65119023

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)C2CCCCO2)CC1
InChIInChI=1S/C15H27NO3/c1-14(2)6-8-15(18,9-7-14)11-16-13(17)12-5-3-4-10-19-12/h12,18H,3-11H2,1-2H3,(H,16,17)
InChIKeyVPFKAEBJIKOMEG-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.00
Rot. Bonds3

About N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide (PubChem CID 65119023) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide
PubChem CID65119023
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)C2CCCCO2)CC1
InChIInChI=1S/C15H27NO3/c1-14(2)6-8-15(18,9-7-14)11-16-13(17)12-5-3-4-10-19-12/h12,18H,3-11H2,1-2H3,(H,16,17)
InChIKeyVPFKAEBJIKOMEG-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]oxane-2-carboxamide
CID 65113697
N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide
CID 65123536
(2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide
CID 113342862
N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide
CID 114760680
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]morpholine-2-carboxamide
CID 65119743
N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide
CID 112702852
(2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide
CID 103872794
N-(3-cyanopropyl)oxane-2-carboxamide
CID 62667376
N-(2-oxopropyl)oxane-2-carboxamide
CID 64997273
N-(4-bromobutyl)oxane-2-carboxamide
CID 106845688
N-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide
CID 62212636
1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104855915

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide (CID 65119023) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide is CC1(C)CCC(O)(CNC(=O)C2CCCCO2)CC1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide?
The InChIKey is VPFKAEBJIKOMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-14(2)6-8-15(18,9-7-14)11-16-13(17)12-5-3-4-10-19-12/h12,18H,3-11H2,1-2H3,(H,16,17).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide has a molecular weight of 269.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide is sourced from PubChem (CID 65119023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).