N-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide

C15H27NO3 — CID 65160273

IUPACN-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC2CCCCC2O)C1C
InChIInChI=1S/C15H27NO3/c1-9-10(2)19-11(3)14(9)15(18)16-8-12-6-4-5-7-13(12)17/h9-14,17H,4-8H2,1-3H3,(H,16,18)
InChIKeyYPDPIVBORQYELZ-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.71
Rot. Bonds3

About N-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65160273) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65160273
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC2CCCCC2O)C1C
InChIInChI=1S/C15H27NO3/c1-9-10(2)19-11(3)14(9)15(18)16-8-12-6-4-5-7-13(12)17/h9-14,17H,4-8H2,1-3H3,(H,16,18)
InChIKeyYPDPIVBORQYELZ-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 113272704
N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 114312352
N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79208729
N-[(2-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 64928899
N-[(2-hydroxycyclohexyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 64912863
N-[(3-chlorocyclopentyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 106127006
4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673772
N-[(2-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide
CID 64911345
N-[2-(chloromethyl)cyclopentyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 106365810
N-[(2-hydroxycyclopentyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 111463943
N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide
CID 64911747
4-amino-N-[(2-hydroxycyclohexyl)methyl]oxolane-3-carboxamide
CID 66235488

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide (CID 65160273) is N-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NCC2CCCCC2O)C1C.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is YPDPIVBORQYELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-9-10(2)19-11(3)14(9)15(18)16-8-12-6-4-5-7-13(12)17/h9-14,17H,4-8H2,1-3H3,(H,16,18).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 269.38 g/mol, XLogP of 1.71, 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]-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65160273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).