N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H25NO2 — CID 112605068

IUPACN-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCCCCCNC(=O)COC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-5-6-7-8-9-13-11(14)10-15-12(2,3)4/h5-10H2,1-4H3,(H,13,14)
InChIKeySXUPUOGXGNYCQR-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.50
Rot. Bonds7

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

N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112605068) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112605068
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCCCCCNC(=O)COC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-5-6-7-8-9-13-11(14)10-15-12(2,3)4/h5-10H2,1-4H3,(H,13,14)
InChIKeySXUPUOGXGNYCQR-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-bromohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 107847524
N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106843199
N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605413
2-[(2-methylpropan-2-yl)oxy]-N-(3-sulfanylpropyl)acetamide
CID 155051712
2-methoxy-N-nonylacetamide
CID 86922058
N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605551
2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 134170006
[2-oxo-2-(pentadecylamino)ethyl] acetate
CID 11088732
N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 107300430
2-(1-amino-2-methylpropan-2-yl)oxy-N-butylacetamide
CID 65053674
3,3-dimethyl-N-tetradecylbutanamide
CID 156529855
tert-butyl N-[4-(hexadecanoylamino)butyl]carbamate
CID 54129865

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112605068) is N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide is CCCCCCNC(=O)COC(C)(C)C.
What is the InChIKey of N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is SXUPUOGXGNYCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-6-7-8-9-13-11(14)10-15-12(2,3)4/h5-10H2,1-4H3,(H,13,14).
What are the key properties of N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 215.34 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112605068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).