N-but-3-ynyl-2-ethoxyacetamide

C8H13NO2 — CID 56765710

IUPACN-but-3-ynyl-2-ethoxyacetamide
SMILESC#CCCNC(=O)COCC
InChIInChI=1S/C8H13NO2/c1-3-5-6-9-8(10)7-11-4-2/h1H,4-7H2,2H3,(H,9,10)
InChIKeyOCAHBVFXKBNKPX-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.16
Rot. Bonds5

About N-but-3-ynyl-2-ethoxyacetamide

N-but-3-ynyl-2-ethoxyacetamide (PubChem CID 56765710) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-but-3-ynyl-2-ethoxyacetamide.

Molecular Properties

Compound NameN-but-3-ynyl-2-ethoxyacetamide
PubChem CID56765710
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-but-3-ynyl-2-ethoxyacetamide
SMILESC#CCCNC(=O)COCC
InChIInChI=1S/C8H13NO2/c1-3-5-6-9-8(10)7-11-4-2/h1H,4-7H2,2H3,(H,9,10)
InChIKeyOCAHBVFXKBNKPX-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-2-ethoxyacetamide?
The IUPAC name of N-but-3-ynyl-2-ethoxyacetamide (CID 56765710) is N-but-3-ynyl-2-ethoxyacetamide.
What is the SMILES notation for N-but-3-ynyl-2-ethoxyacetamide?
The canonical SMILES for N-but-3-ynyl-2-ethoxyacetamide is C#CCCNC(=O)COCC.
What is the InChIKey of N-but-3-ynyl-2-ethoxyacetamide?
The InChIKey is OCAHBVFXKBNKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-5-6-9-8(10)7-11-4-2/h1H,4-7H2,2H3,(H,9,10).
What are the key properties of N-but-3-ynyl-2-ethoxyacetamide?
N-but-3-ynyl-2-ethoxyacetamide has a molecular weight of 155.20 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-2-ethoxyacetamide is sourced from PubChem (CID 56765710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).