N-(5-hydroxy-2,2-dimethylpentyl)-2-methoxypropanamide

C11H23NO3 — CID 103899872

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C11H23NO3/c1-9(15-4)10(14)12-8-11(2,3)6-5-7-13/h9,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyISIQSKJMRSCDFI-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.94
Rot. Bonds7

About N-(5-hydroxy-2,2-dimethylpentyl)-2-methoxypropanamide

N-(5-hydroxy-2,2-dimethylpentyl)-2-methoxypropanamide (PubChem CID 103899872) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-2-methoxypropanamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-2-methoxypropanamide
PubChem CID103899872
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C11H23NO3/c1-9(15-4)10(14)12-8-11(2,3)6-5-7-13/h9,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyISIQSKJMRSCDFI-UHFFFAOYSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxy-2,2-dimethylpentyl)-3-methyl-2-sulfanylbutanamide
CID 106149644
(2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide
CID 114150116
2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide
CID 106148113
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148250
N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybutanamide
CID 103899565
methyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylbutanoate
CID 106147126
2-amino-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148100
(2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 106148305
N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide
CID 103825152
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide
CID 106147175
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide
CID 106148146
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbutanamide
CID 106147902

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-methoxypropanamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-methoxypropanamide (CID 103899872) is N-(5-hydroxy-2,2-dimethylpentyl)-2-methoxypropanamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-2-methoxypropanamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-2-methoxypropanamide is COC(C)C(=O)NCC(C)(C)CCCO.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-2-methoxypropanamide?
The InChIKey is ISIQSKJMRSCDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(15-4)10(14)12-8-11(2,3)6-5-7-13/h9,13H,5-8H2,1-4H3,(H,12,14).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-2-methoxypropanamide?
N-(5-hydroxy-2,2-dimethylpentyl)-2-methoxypropanamide has a molecular weight of 217.31 g/mol, XLogP of 0.94, 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-methoxypropanamide is sourced from PubChem (CID 103899872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).