N'-ethyl-N-methylbut-2-enediamide

C7H12N2O2 — CID 54397775

IUPACN'-ethyl-N-methylbut-2-enediamide
SMILESCCNC(=O)C=CC(=O)NC
InChIInChI=1S/C7H12N2O2/c1-3-9-7(11)5-4-6(10)8-2/h4-5H,3H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyVLFZOEWAWZMBAD-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.58
Rot. Bonds3

About N'-ethyl-N-methylbut-2-enediamide

N'-ethyl-N-methylbut-2-enediamide (PubChem CID 54397775) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is N'-ethyl-N-methylbut-2-enediamide.

Molecular Properties

Compound NameN'-ethyl-N-methylbut-2-enediamide
PubChem CID54397775
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC NameN'-ethyl-N-methylbut-2-enediamide
SMILESCCNC(=O)C=CC(=O)NC
InChIInChI=1S/C7H12N2O2/c1-3-9-7(11)5-4-6(10)8-2/h4-5H,3H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyVLFZOEWAWZMBAD-UHFFFAOYSA-N
XLogP-0.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methylbut-2-enediamide?
The IUPAC name of N'-ethyl-N-methylbut-2-enediamide (CID 54397775) is N'-ethyl-N-methylbut-2-enediamide.
What is the SMILES notation for N'-ethyl-N-methylbut-2-enediamide?
The canonical SMILES for N'-ethyl-N-methylbut-2-enediamide is CCNC(=O)C=CC(=O)NC.
What is the InChIKey of N'-ethyl-N-methylbut-2-enediamide?
The InChIKey is VLFZOEWAWZMBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-9-7(11)5-4-6(10)8-2/h4-5H,3H2,1-2H3,(H,8,10)(H,9,11).
What are the key properties of N'-ethyl-N-methylbut-2-enediamide?
N'-ethyl-N-methylbut-2-enediamide has a molecular weight of 156.19 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methylbut-2-enediamide is sourced from PubChem (CID 54397775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).