N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide

C10H17NO3 — CID 106249974

IUPACN-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide
SMILESC#CCC(=O)NCC(C)(O)CCOC
InChIInChI=1S/C10H17NO3/c1-4-5-9(12)11-8-10(2,13)6-7-14-3/h1,13H,5-8H2,2-3H3,(H,11,12)
InChIKeyLJQGLBHAXCTEAJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.09
Rot. Bonds6

About N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide

N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide (PubChem CID 106249974) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide
PubChem CID106249974
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide
SMILESC#CCC(=O)NCC(C)(O)CCOC
InChIInChI=1S/C10H17NO3/c1-4-5-9(12)11-8-10(2,13)6-7-14-3/h1,13H,5-8H2,2-3H3,(H,11,12)
InChIKeyLJQGLBHAXCTEAJ-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944415
2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712613
N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide
CID 103712530
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,2-dimethylbutanamide
CID 103712407
N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide
CID 106254571
2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 114164661
3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide
CID 106254861
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 106254850
(2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide
CID 106254016
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2-oxoazepan-1-yl)acetamide
CID 103712564
2-(3-fluorophenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712162

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide?
The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide (CID 106249974) is N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide?
The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide is C#CCC(=O)NCC(C)(O)CCOC.
What is the InChIKey of N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide?
The InChIKey is LJQGLBHAXCTEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-5-9(12)11-8-10(2,13)6-7-14-3/h1,13H,5-8H2,2-3H3,(H,11,12).
What are the key properties of N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide?
N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide has a molecular weight of 199.25 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide is sourced from PubChem (CID 106249974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).