4-amino-N-(3-ethenoxypropyl)-3-methoxybutanamide

C10H20N2O3 — CID 103155531

IUPAC4-amino-N-(3-ethenoxypropyl)-3-methoxybutanamide
SMILESC=COCCCNC(=O)CC(CN)OC
InChIInChI=1S/C10H20N2O3/c1-3-15-6-4-5-12-10(13)7-9(8-11)14-2/h3,9H,1,4-8,11H2,2H3,(H,12,13)
InChIKeyCPPZLHWTUZUTEV-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.02
Rot. Bonds9

About 4-amino-N-(3-ethenoxypropyl)-3-methoxybutanamide

4-amino-N-(3-ethenoxypropyl)-3-methoxybutanamide (PubChem CID 103155531) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-amino-N-(3-ethenoxypropyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(3-ethenoxypropyl)-3-methoxybutanamide
PubChem CID103155531
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-amino-N-(3-ethenoxypropyl)-3-methoxybutanamide
SMILESC=COCCCNC(=O)CC(CN)OC
InChIInChI=1S/C10H20N2O3/c1-3-15-6-4-5-12-10(13)7-9(8-11)14-2/h3,9H,1,4-8,11H2,2H3,(H,12,13)
InChIKeyCPPZLHWTUZUTEV-UHFFFAOYSA-N
XLogP0.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethenoxypropyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(3-ethenoxypropyl)-3-methoxybutanamide (CID 103155531) is 4-amino-N-(3-ethenoxypropyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(3-ethenoxypropyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(3-ethenoxypropyl)-3-methoxybutanamide is C=COCCCNC(=O)CC(CN)OC.
What is the InChIKey of 4-amino-N-(3-ethenoxypropyl)-3-methoxybutanamide?
The InChIKey is CPPZLHWTUZUTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-15-6-4-5-12-10(13)7-9(8-11)14-2/h3,9H,1,4-8,11H2,2H3,(H,12,13).
What are the key properties of 4-amino-N-(3-ethenoxypropyl)-3-methoxybutanamide?
4-amino-N-(3-ethenoxypropyl)-3-methoxybutanamide has a molecular weight of 216.28 g/mol, XLogP of 0.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethenoxypropyl)-3-methoxybutanamide is sourced from PubChem (CID 103155531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).