3-[4-(butylamino)-2-methylbutan-2-yl]oxy-N-methylpropanamide

C13H28N2O2 — CID 163658574

IUPAC3-[4-(butylamino)-2-methylbutan-2-yl]oxy-N-methylpropanamide
SMILESCCCCNCCC(C)(C)OCCC(=O)NC
InChIInChI=1S/C13H28N2O2/c1-5-6-9-15-10-8-13(2,3)17-11-7-12(16)14-4/h15H,5-11H2,1-4H3,(H,14,16)
InChIKeyISJPQJWCMHLWAT-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.70
Rot. Bonds10

About 3-[4-(butylamino)-2-methylbutan-2-yl]oxy-N-methylpropanamide

3-[4-(butylamino)-2-methylbutan-2-yl]oxy-N-methylpropanamide (PubChem CID 163658574) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-[4-(butylamino)-2-methylbutan-2-yl]oxy-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-(butylamino)-2-methylbutan-2-yl]oxy-N-methylpropanamide
PubChem CID163658574
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-[4-(butylamino)-2-methylbutan-2-yl]oxy-N-methylpropanamide
SMILESCCCCNCCC(C)(C)OCCC(=O)NC
InChIInChI=1S/C13H28N2O2/c1-5-6-9-15-10-8-13(2,3)17-11-7-12(16)14-4/h15H,5-11H2,1-4H3,(H,14,16)
InChIKeyISJPQJWCMHLWAT-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.70
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 3-[4-(butylamino)-2-methylbutan-2-yl]oxy-N-methylpropanamide?
The IUPAC name of 3-[4-(butylamino)-2-methylbutan-2-yl]oxy-N-methylpropanamide (CID 163658574) is 3-[4-(butylamino)-2-methylbutan-2-yl]oxy-N-methylpropanamide.
What is the SMILES notation for 3-[4-(butylamino)-2-methylbutan-2-yl]oxy-N-methylpropanamide?
The canonical SMILES for 3-[4-(butylamino)-2-methylbutan-2-yl]oxy-N-methylpropanamide is CCCCNCCC(C)(C)OCCC(=O)NC.
What is the InChIKey of 3-[4-(butylamino)-2-methylbutan-2-yl]oxy-N-methylpropanamide?
The InChIKey is ISJPQJWCMHLWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-6-9-15-10-8-13(2,3)17-11-7-12(16)14-4/h15H,5-11H2,1-4H3,(H,14,16).
What are the key properties of 3-[4-(butylamino)-2-methylbutan-2-yl]oxy-N-methylpropanamide?
3-[4-(butylamino)-2-methylbutan-2-yl]oxy-N-methylpropanamide has a molecular weight of 244.38 g/mol, XLogP of 1.70, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(butylamino)-2-methylbutan-2-yl]oxy-N-methylpropanamide is sourced from PubChem (CID 163658574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).