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

C7H13NO2 — CID 59327281

IUPACN-(2-methoxyethyl)but-3-enamide
SMILESC=CCC(=O)NCCOC
InChIInChI=1S/C7H13NO2/c1-3-4-7(9)8-5-6-10-2/h3H,1,4-6H2,2H3,(H,8,9)
InChIKeyLUBNSCSBEGMTHI-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.33
Rot. Bonds5

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

N-(2-methoxyethyl)but-3-enamide (PubChem CID 59327281) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(2-methoxyethyl)but-3-enamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)but-3-enamide
PubChem CID59327281
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(2-methoxyethyl)but-3-enamide
SMILESC=CCC(=O)NCCOC
InChIInChI=1S/C7H13NO2/c1-3-4-7(9)8-5-6-10-2/h3H,1,4-6H2,2H3,(H,8,9)
InChIKeyLUBNSCSBEGMTHI-UHFFFAOYSA-N
XLogP0.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.33
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-methoxyethyl)but-3-enamide?
The IUPAC name of N-(2-methoxyethyl)but-3-enamide (CID 59327281) is N-(2-methoxyethyl)but-3-enamide.
What is the SMILES notation for N-(2-methoxyethyl)but-3-enamide?
The canonical SMILES for N-(2-methoxyethyl)but-3-enamide is C=CCC(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)but-3-enamide?
The InChIKey is LUBNSCSBEGMTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-7(9)8-5-6-10-2/h3H,1,4-6H2,2H3,(H,8,9).
What are the key properties of N-(2-methoxyethyl)but-3-enamide?
N-(2-methoxyethyl)but-3-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)but-3-enamide is sourced from PubChem (CID 59327281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).