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

C13H28N2O2 — CID 175987224

IUPACN-butyl-2-[2-(diethylamino)ethoxy]-N-methylacetamide
SMILESCCCCN(C)C(=O)COCCN(CC)CC
InChIInChI=1S/C13H28N2O2/c1-5-8-9-14(4)13(16)12-17-11-10-15(6-2)7-3/h5-12H2,1-4H3
InChIKeyNCYARYRIMUZWEO-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.60
Rot. Bonds10

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

N-butyl-2-[2-(diethylamino)ethoxy]-N-methylacetamide (PubChem CID 175987224) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-butyl-2-[2-(diethylamino)ethoxy]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(diethylamino)ethoxy]-N-methylacetamide
PubChem CID175987224
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-butyl-2-[2-(diethylamino)ethoxy]-N-methylacetamide
SMILESCCCCN(C)C(=O)COCCN(CC)CC
InChIInChI=1S/C13H28N2O2/c1-5-8-9-14(4)13(16)12-17-11-10-15(6-2)7-3/h5-12H2,1-4H3
InChIKeyNCYARYRIMUZWEO-UHFFFAOYSA-N
XLogP1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.60
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-(diethylamino)ethoxy]-N-methylacetamide?
The IUPAC name of N-butyl-2-[2-(diethylamino)ethoxy]-N-methylacetamide (CID 175987224) is N-butyl-2-[2-(diethylamino)ethoxy]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[2-(diethylamino)ethoxy]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[2-(diethylamino)ethoxy]-N-methylacetamide is CCCCN(C)C(=O)COCCN(CC)CC.
What is the InChIKey of N-butyl-2-[2-(diethylamino)ethoxy]-N-methylacetamide?
The InChIKey is NCYARYRIMUZWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-8-9-14(4)13(16)12-17-11-10-15(6-2)7-3/h5-12H2,1-4H3.
What are the key properties of N-butyl-2-[2-(diethylamino)ethoxy]-N-methylacetamide?
N-butyl-2-[2-(diethylamino)ethoxy]-N-methylacetamide has a molecular weight of 244.38 g/mol, XLogP of 1.60, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(diethylamino)ethoxy]-N-methylacetamide is sourced from PubChem (CID 175987224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).