N-butyl-2-[2-(dimethylamino)ethoxy]-N-methylacetamide

C11H24N2O2 — CID 175987218

IUPACN-butyl-2-[2-(dimethylamino)ethoxy]-N-methylacetamide
SMILESCCCCN(C)C(=O)COCCN(C)C
InChIInChI=1S/C11H24N2O2/c1-5-6-7-13(4)11(14)10-15-9-8-12(2)3/h5-10H2,1-4H3
InChIKeyXEGZNSBBOOUCSV-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.82
Rot. Bonds8

About N-butyl-2-[2-(dimethylamino)ethoxy]-N-methylacetamide

N-butyl-2-[2-(dimethylamino)ethoxy]-N-methylacetamide (PubChem CID 175987218) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-butyl-2-[2-(dimethylamino)ethoxy]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(dimethylamino)ethoxy]-N-methylacetamide
PubChem CID175987218
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-butyl-2-[2-(dimethylamino)ethoxy]-N-methylacetamide
SMILESCCCCN(C)C(=O)COCCN(C)C
InChIInChI=1S/C11H24N2O2/c1-5-6-7-13(4)11(14)10-15-9-8-12(2)3/h5-10H2,1-4H3
InChIKeyXEGZNSBBOOUCSV-UHFFFAOYSA-N
XLogP0.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.82
H-Bond Donors ≤ 50
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-butyl-2-[2-(dimethylamino)ethoxy]-N-methylacetamide?
The IUPAC name of N-butyl-2-[2-(dimethylamino)ethoxy]-N-methylacetamide (CID 175987218) is N-butyl-2-[2-(dimethylamino)ethoxy]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[2-(dimethylamino)ethoxy]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[2-(dimethylamino)ethoxy]-N-methylacetamide is CCCCN(C)C(=O)COCCN(C)C.
What is the InChIKey of N-butyl-2-[2-(dimethylamino)ethoxy]-N-methylacetamide?
The InChIKey is XEGZNSBBOOUCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-6-7-13(4)11(14)10-15-9-8-12(2)3/h5-10H2,1-4H3.
What are the key properties of N-butyl-2-[2-(dimethylamino)ethoxy]-N-methylacetamide?
N-butyl-2-[2-(dimethylamino)ethoxy]-N-methylacetamide has a molecular weight of 216.32 g/mol, XLogP of 0.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(dimethylamino)ethoxy]-N-methylacetamide is sourced from PubChem (CID 175987218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).