2-ethyl-N,2-dimethylbut-3-enamide

C8H15NO — CID 126994529

IUPAC2-ethyl-N,2-dimethylbut-3-enamide
SMILESC=CC(C)(CC)C(=O)NC
InChIInChI=1S/C8H15NO/c1-5-8(3,6-2)7(10)9-4/h5H,1,6H2,2-4H3,(H,9,10)
InChIKeyXQJLFDSMIRCBPX-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.33
Rot. Bonds3

About 2-ethyl-N,2-dimethylbut-3-enamide

2-ethyl-N,2-dimethylbut-3-enamide (PubChem CID 126994529) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-ethyl-N,2-dimethylbut-3-enamide.

Molecular Properties

Compound Name2-ethyl-N,2-dimethylbut-3-enamide
PubChem CID126994529
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-ethyl-N,2-dimethylbut-3-enamide
SMILESC=CC(C)(CC)C(=O)NC
InChIInChI=1S/C8H15NO/c1-5-8(3,6-2)7(10)9-4/h5H,1,6H2,2-4H3,(H,9,10)
InChIKeyXQJLFDSMIRCBPX-UHFFFAOYSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-ethyl-N-methyl-2-[(E)-prop-1-enyl]pent-3-enamide
CID 145178749
3-ethyl-2,3-dimethylpenta-1,4-diene
CID 123241142
2-hydroxy-N,2-dimethylbutanamide
CID 22213750
N,2-dimethyl-2-prop-2-enoxypropanamide
CID 130010930
2-(aminomethyl)-N,2-dimethylbutanamide
CID 114290214
2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide
CID 88557657
2-acetamido-N,2-dimethylbutanamide
CID 71329562
2,2-diethyl-N,N',4,4-tetramethylpentanediamide
CID 123803156
ethyl 2-ethenyl-2,5,5-trimethylhexanoate
CID 102638995
methyl 2-ethyl-2-methylpent-4-enoate
CID 14714437
ethyl 2-(2-fluoroethyl)-2-methylbut-3-enoate
CID 102639291
N,3-dimethylpent-1-en-3-amine
CID 123650218

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,2-dimethylbut-3-enamide?
The IUPAC name of 2-ethyl-N,2-dimethylbut-3-enamide (CID 126994529) is 2-ethyl-N,2-dimethylbut-3-enamide.
What is the SMILES notation for 2-ethyl-N,2-dimethylbut-3-enamide?
The canonical SMILES for 2-ethyl-N,2-dimethylbut-3-enamide is C=CC(C)(CC)C(=O)NC.
What is the InChIKey of 2-ethyl-N,2-dimethylbut-3-enamide?
The InChIKey is XQJLFDSMIRCBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-8(3,6-2)7(10)9-4/h5H,1,6H2,2-4H3,(H,9,10).
What are the key properties of 2-ethyl-N,2-dimethylbut-3-enamide?
2-ethyl-N,2-dimethylbut-3-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,2-dimethylbut-3-enamide is sourced from PubChem (CID 126994529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).