N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C10H21NO3 — CID 106843199

IUPACN-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCCCCO
InChIInChI=1S/C10H21NO3/c1-10(2,3)14-8-9(13)11-6-4-5-7-12/h12H,4-8H2,1-3H3,(H,11,13)
InChIKeySVVXYRJMLRMZMH-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.69
Rot. Bonds6

About N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 106843199) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID106843199
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCCCCO
InChIInChI=1S/C10H21NO3/c1-10(2,3)14-8-9(13)11-6-4-5-7-12/h12H,4-8H2,1-3H3,(H,11,13)
InChIKeySVVXYRJMLRMZMH-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 106843199) is N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NCCCCO.
What is the InChIKey of N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is SVVXYRJMLRMZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-10(2,3)14-8-9(13)11-6-4-5-7-12/h12H,4-8H2,1-3H3,(H,11,13).
What are the key properties of N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 203.28 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 106843199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).