4-(ethylamino)-2,3-dimethylbut-2-enamide

C8H16N2O — CID 123883095

IUPAC4-(ethylamino)-2,3-dimethylbut-2-enamide
SMILESCCNCC(C)=C(C)C(N)=O
InChIInChI=1S/C8H16N2O/c1-4-10-5-6(2)7(3)8(9)11/h10H,4-5H2,1-3H3,(H2,9,11)
InChIKeyWIJHQHPCCKDILE-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.42
Rot. Bonds4

About 4-(ethylamino)-2,3-dimethylbut-2-enamide

4-(ethylamino)-2,3-dimethylbut-2-enamide (PubChem CID 123883095) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-(ethylamino)-2,3-dimethylbut-2-enamide.

Molecular Properties

Compound Name4-(ethylamino)-2,3-dimethylbut-2-enamide
PubChem CID123883095
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-(ethylamino)-2,3-dimethylbut-2-enamide
SMILESCCNCC(C)=C(C)C(N)=O
InChIInChI=1S/C8H16N2O/c1-4-10-5-6(2)7(3)8(9)11/h10H,4-5H2,1-3H3,(H2,9,11)
InChIKeyWIJHQHPCCKDILE-UHFFFAOYSA-N
XLogP0.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.42
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 4-(ethylamino)-2,3-dimethylbut-2-enamide?
The IUPAC name of 4-(ethylamino)-2,3-dimethylbut-2-enamide (CID 123883095) is 4-(ethylamino)-2,3-dimethylbut-2-enamide.
What is the SMILES notation for 4-(ethylamino)-2,3-dimethylbut-2-enamide?
The canonical SMILES for 4-(ethylamino)-2,3-dimethylbut-2-enamide is CCNCC(C)=C(C)C(N)=O.
What is the InChIKey of 4-(ethylamino)-2,3-dimethylbut-2-enamide?
The InChIKey is WIJHQHPCCKDILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-10-5-6(2)7(3)8(9)11/h10H,4-5H2,1-3H3,(H2,9,11).
What are the key properties of 4-(ethylamino)-2,3-dimethylbut-2-enamide?
4-(ethylamino)-2,3-dimethylbut-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2,3-dimethylbut-2-enamide is sourced from PubChem (CID 123883095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).