2-ethoxy-N-ethyl-3-methylbut-2-enamide

C9H17NO2 — CID 89231432

IUPAC2-ethoxy-N-ethyl-3-methylbut-2-enamide
SMILESCCNC(=O)C(OCC)=C(C)C
InChIInChI=1S/C9H17NO2/c1-5-10-9(11)8(7(3)4)12-6-2/h5-6H2,1-4H3,(H,10,11)
InChIKeyJBCYWBACDOOCMV-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.45
Rot. Bonds4

About 2-ethoxy-N-ethyl-3-methylbut-2-enamide

2-ethoxy-N-ethyl-3-methylbut-2-enamide (PubChem CID 89231432) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-3-methylbut-2-enamide.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-3-methylbut-2-enamide
PubChem CID89231432
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-ethoxy-N-ethyl-3-methylbut-2-enamide
SMILESCCNC(=O)C(OCC)=C(C)C
InChIInChI=1S/C9H17NO2/c1-5-10-9(11)8(7(3)4)12-6-2/h5-6H2,1-4H3,(H,10,11)
InChIKeyJBCYWBACDOOCMV-UHFFFAOYSA-N
XLogP1.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-3-methylbut-2-enamide?
The IUPAC name of 2-ethoxy-N-ethyl-3-methylbut-2-enamide (CID 89231432) is 2-ethoxy-N-ethyl-3-methylbut-2-enamide.
What is the SMILES notation for 2-ethoxy-N-ethyl-3-methylbut-2-enamide?
The canonical SMILES for 2-ethoxy-N-ethyl-3-methylbut-2-enamide is CCNC(=O)C(OCC)=C(C)C.
What is the InChIKey of 2-ethoxy-N-ethyl-3-methylbut-2-enamide?
The InChIKey is JBCYWBACDOOCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-10-9(11)8(7(3)4)12-6-2/h5-6H2,1-4H3,(H,10,11).
What are the key properties of 2-ethoxy-N-ethyl-3-methylbut-2-enamide?
2-ethoxy-N-ethyl-3-methylbut-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-3-methylbut-2-enamide is sourced from PubChem (CID 89231432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).