N-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide

C11H24N2O2 — CID 79281144

IUPACN-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide
SMILESCCC(C)N(CC)C(=O)CNCCOC
InChIInChI=1S/C11H24N2O2/c1-5-10(3)13(6-2)11(14)9-12-7-8-15-4/h10,12H,5-9H2,1-4H3
InChIKeyGEFZWUWFGDDOSE-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.87
Rot. Bonds8

About N-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide

N-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide (PubChem CID 79281144) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide
PubChem CID79281144
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide
SMILESCCC(C)N(CC)C(=O)CNCCOC
InChIInChI=1S/C11H24N2O2/c1-5-10(3)13(6-2)11(14)9-12-7-8-15-4/h10,12H,5-9H2,1-4H3
InChIKeyGEFZWUWFGDDOSE-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
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-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide (CID 79281144) is N-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide is CCC(C)N(CC)C(=O)CNCCOC.
What is the InChIKey of N-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide?
The InChIKey is GEFZWUWFGDDOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-10(3)13(6-2)11(14)9-12-7-8-15-4/h10,12H,5-9H2,1-4H3.
What are the key properties of N-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide?
N-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide has a molecular weight of 216.32 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 79281144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).