N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-2-(oxan-4-yl)acetamide

C15H27NO3 — CID 115277339

IUPACN-[4-(hydroxymethyl)cyclohexyl]-N-methyl-2-(oxan-4-yl)acetamide
SMILESCN(C(=O)CC1CCOCC1)C1CCC(CO)CC1
InChIInChI=1S/C15H27NO3/c1-16(14-4-2-13(11-17)3-5-14)15(18)10-12-6-8-19-9-7-12/h12-14,17H,2-11H2,1H3
InChIKeyFFIDMTXTSAFOQK-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.81
Rot. Bonds4

About N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-2-(oxan-4-yl)acetamide

N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-2-(oxan-4-yl)acetamide (PubChem CID 115277339) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)cyclohexyl]-N-methyl-2-(oxan-4-yl)acetamide
PubChem CID115277339
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-[4-(hydroxymethyl)cyclohexyl]-N-methyl-2-(oxan-4-yl)acetamide
SMILESCN(C(=O)CC1CCOCC1)C1CCC(CO)CC1
InChIInChI=1S/C15H27NO3/c1-16(14-4-2-13(11-17)3-5-14)15(18)10-12-6-8-19-9-7-12/h12-14,17H,2-11H2,1H3
InChIKeyFFIDMTXTSAFOQK-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-N-methyl-2-(oxan-4-yl)acetamide
CID 115277521
2-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylacetamide
CID 116817264
N-cyclopropyl-N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 75502533
oxan-4-ylmethanol
CID 2773573
2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide
CID 55226080
N-methyl-2-(oxolan-3-yl)-N-pyrrolidin-3-ylacetamide
CID 119551379
2-ethoxy-N-methyl-N-(oxan-4-yl)acetamide
CID 64591717
3-methyl-2-[methyl-[2-(oxan-4-yl)acetyl]amino]butanoic acid
CID 110837449
N-(4-hydroxycyclohexyl)-N-methyl-2-(1-methylpiperidin-4-yl)acetamide
CID 115277428
N-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide
CID 83137303
2-(azetidin-3-yl)-N-cyclobutyl-N-methylacetamide
CID 115739566
N-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide
CID 116817101

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-2-(oxan-4-yl)acetamide (CID 115277339) is N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-2-(oxan-4-yl)acetamide is CN(C(=O)CC1CCOCC1)C1CCC(CO)CC1.
What is the InChIKey of N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-2-(oxan-4-yl)acetamide?
The InChIKey is FFIDMTXTSAFOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-16(14-4-2-13(11-17)3-5-14)15(18)10-12-6-8-19-9-7-12/h12-14,17H,2-11H2,1H3.
What are the key properties of N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-2-(oxan-4-yl)acetamide?
N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-2-(oxan-4-yl)acetamide has a molecular weight of 269.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 115277339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).