N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H27NO3 — CID 112603195

IUPACN-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCC1CCCCC1CO
InChIInChI=1S/C14H27NO3/c1-14(2,3)18-10-13(17)15-8-11-6-4-5-7-12(11)9-16/h11-12,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyYTZXOXQVHBLFJE-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.72
Rot. Bonds5

About N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112603195) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112603195
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCC1CCCCC1CO
InChIInChI=1S/C14H27NO3/c1-14(2,3)18-10-13(17)15-8-11-6-4-5-7-12(11)9-16/h11-12,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyYTZXOXQVHBLFJE-UHFFFAOYSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604798
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide
CID 103021126
N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605397
4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 79191808
N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106123823
N-[[2-(hydroxymethyl)cyclohexyl]methyl]but-2-enamide
CID 77104592
N-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106126851
N-cycloheptyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604811
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66478079
N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604907
N-(2-aminocyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603334
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605227

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112603195) is N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NCC1CCCCC1CO.
What is the InChIKey of N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is YTZXOXQVHBLFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-14(2,3)18-10-13(17)15-8-11-6-4-5-7-12(11)9-16/h11-12,16H,4-10H2,1-3H3,(H,15,17).
What are the key properties of N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 257.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112603195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).