N-but-3-en-2-yl-2-ethoxyacetamide

C8H15NO2 — CID 115692176

IUPACN-but-3-en-2-yl-2-ethoxyacetamide
SMILESC=CC(C)NC(=O)COCC
InChIInChI=1S/C8H15NO2/c1-4-7(3)9-8(10)6-11-5-2/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyAZXBECGJNKYHFM-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.71
Rot. Bonds5

About N-but-3-en-2-yl-2-ethoxyacetamide

N-but-3-en-2-yl-2-ethoxyacetamide (PubChem CID 115692176) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-ethoxyacetamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-ethoxyacetamide
PubChem CID115692176
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-but-3-en-2-yl-2-ethoxyacetamide
SMILESC=CC(C)NC(=O)COCC
InChIInChI=1S/C8H15NO2/c1-4-7(3)9-8(10)6-11-5-2/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyAZXBECGJNKYHFM-UHFFFAOYSA-N
XLogP0.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2-ethoxyacetamide?
The IUPAC name of N-but-3-en-2-yl-2-ethoxyacetamide (CID 115692176) is N-but-3-en-2-yl-2-ethoxyacetamide.
What is the SMILES notation for N-but-3-en-2-yl-2-ethoxyacetamide?
The canonical SMILES for N-but-3-en-2-yl-2-ethoxyacetamide is C=CC(C)NC(=O)COCC.
What is the InChIKey of N-but-3-en-2-yl-2-ethoxyacetamide?
The InChIKey is AZXBECGJNKYHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-7(3)9-8(10)6-11-5-2/h4,7H,1,5-6H2,2-3H3,(H,9,10).
What are the key properties of N-but-3-en-2-yl-2-ethoxyacetamide?
N-but-3-en-2-yl-2-ethoxyacetamide has a molecular weight of 157.21 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2-ethoxyacetamide is sourced from PubChem (CID 115692176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).