N-(2-ethoxyethyl)but-3-enamide

C8H15NO2 — CID 143446171

IUPACN-(2-ethoxyethyl)but-3-enamide
SMILESC=CCC(=O)NCCOCC
InChIInChI=1S/C8H15NO2/c1-3-5-8(10)9-6-7-11-4-2/h3H,1,4-7H2,2H3,(H,9,10)
InChIKeyAHGFHZVJCNIIFX-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.72
Rot. Bonds6

About N-(2-ethoxyethyl)but-3-enamide

N-(2-ethoxyethyl)but-3-enamide (PubChem CID 143446171) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(2-ethoxyethyl)but-3-enamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)but-3-enamide
PubChem CID143446171
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(2-ethoxyethyl)but-3-enamide
SMILESC=CCC(=O)NCCOCC
InChIInChI=1S/C8H15NO2/c1-3-5-8(10)9-6-7-11-4-2/h3H,1,4-7H2,2H3,(H,9,10)
InChIKeyAHGFHZVJCNIIFX-UHFFFAOYSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)but-3-enamide?
The IUPAC name of N-(2-ethoxyethyl)but-3-enamide (CID 143446171) is N-(2-ethoxyethyl)but-3-enamide.
What is the SMILES notation for N-(2-ethoxyethyl)but-3-enamide?
The canonical SMILES for N-(2-ethoxyethyl)but-3-enamide is C=CCC(=O)NCCOCC.
What is the InChIKey of N-(2-ethoxyethyl)but-3-enamide?
The InChIKey is AHGFHZVJCNIIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-8(10)9-6-7-11-4-2/h3H,1,4-7H2,2H3,(H,9,10).
What are the key properties of N-(2-ethoxyethyl)but-3-enamide?
N-(2-ethoxyethyl)but-3-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)but-3-enamide is sourced from PubChem (CID 143446171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).