4-amino-N-butyl-N-ethyl-3-methoxybutanamide

C11H24N2O2 — CID 103154162

IUPAC4-amino-N-butyl-N-ethyl-3-methoxybutanamide
SMILESCCCCN(CC)C(=O)CC(CN)OC
InChIInChI=1S/C11H24N2O2/c1-4-6-7-13(5-2)11(14)8-10(9-12)15-3/h10H,4-9,12H2,1-3H3
InChIKeyQZUMOSCGAWBVHG-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.00
Rot. Bonds8

About 4-amino-N-butyl-N-ethyl-3-methoxybutanamide

4-amino-N-butyl-N-ethyl-3-methoxybutanamide (PubChem CID 103154162) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-amino-N-butyl-N-ethyl-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-butyl-N-ethyl-3-methoxybutanamide
PubChem CID103154162
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name4-amino-N-butyl-N-ethyl-3-methoxybutanamide
SMILESCCCCN(CC)C(=O)CC(CN)OC
InChIInChI=1S/C11H24N2O2/c1-4-6-7-13(5-2)11(14)8-10(9-12)15-3/h10H,4-9,12H2,1-3H3
InChIKeyQZUMOSCGAWBVHG-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-butyl-N-ethyl-3-methoxybutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N-ethyl-3-methoxybutanamide?
The IUPAC name of 4-amino-N-butyl-N-ethyl-3-methoxybutanamide (CID 103154162) is 4-amino-N-butyl-N-ethyl-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-butyl-N-ethyl-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-butyl-N-ethyl-3-methoxybutanamide is CCCCN(CC)C(=O)CC(CN)OC.
What is the InChIKey of 4-amino-N-butyl-N-ethyl-3-methoxybutanamide?
The InChIKey is QZUMOSCGAWBVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-6-7-13(5-2)11(14)8-10(9-12)15-3/h10H,4-9,12H2,1-3H3.
What are the key properties of 4-amino-N-butyl-N-ethyl-3-methoxybutanamide?
4-amino-N-butyl-N-ethyl-3-methoxybutanamide has a molecular weight of 216.32 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N-ethyl-3-methoxybutanamide is sourced from PubChem (CID 103154162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).