N-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide

C14H27NO3 — CID 103899551

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide
SMILESCC(C)(CCCO)CNC(=O)CC1CCCCO1
InChIInChI=1S/C14H27NO3/c1-14(2,7-5-8-16)11-15-13(17)10-12-6-3-4-9-18-12/h12,16H,3-11H2,1-2H3,(H,15,17)
InChIKeyLVMRMZPOFVBKFF-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.86
Rot. Bonds7

About N-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide

N-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide (PubChem CID 103899551) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide
PubChem CID103899551
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide
SMILESCC(C)(CCCO)CNC(=O)CC1CCCCO1
InChIInChI=1S/C14H27NO3/c1-14(2,7-5-8-16)11-15-13(17)10-12-6-3-4-9-18-12/h12,16H,3-11H2,1-2H3,(H,15,17)
InChIKeyLVMRMZPOFVBKFF-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide
CID 106144658
N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide
CID 115364529
N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide
CID 106143879
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide
CID 103843667
N-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide
CID 115968720
N-(2-amino-2-ethylbutyl)-2-(oxan-2-yl)acetamide
CID 81483834
N-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide
CID 106148292
2-(cyclopropylmethylamino)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148251
2-(oxan-2-yl)-N-pentylacetamide
CID 110415818
N-(2-methoxyethyl)-2-(oxan-2-yl)acetamide
CID 110407614
4,4-dimethyl-1-(oxan-2-yl)pentan-2-one
CID 167643908
2-amino-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148100

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide (CID 103899551) is N-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide is CC(C)(CCCO)CNC(=O)CC1CCCCO1.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide?
The InChIKey is LVMRMZPOFVBKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-14(2,7-5-8-16)11-15-13(17)10-12-6-3-4-9-18-12/h12,16H,3-11H2,1-2H3,(H,15,17).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide?
N-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide has a molecular weight of 257.37 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 103899551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).