(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)but-2-enamide

C11H22N2O — CID 59860413

IUPAC(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)but-2-enamide
SMILESCN(C)C/C=C/C(=O)NCC(C)(C)C
InChIInChI=1S/C11H22N2O/c1-11(2,3)9-12-10(14)7-6-8-13(4)5/h6-7H,8-9H2,1-5H3,(H,12,14)/b7-6+
InChIKeyWXEZKFWHGSYTSM-VOTSOKGWSA-N
MW198.31 g/mol
LogP1.27
Rot. Bonds4

About (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)but-2-enamide

(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)but-2-enamide (PubChem CID 59860413) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)but-2-enamide
PubChem CID59860413
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)but-2-enamide
SMILESCN(C)C/C=C/C(=O)NCC(C)(C)C
InChIInChI=1S/C11H22N2O/c1-11(2,3)9-12-10(14)7-6-8-13(4)5/h6-7H,8-9H2,1-5H3,(H,12,14)/b7-6+
InChIKeyWXEZKFWHGSYTSM-VOTSOKGWSA-N
XLogP1.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
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 (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)but-2-enamide (CID 59860413) is (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)but-2-enamide is CN(C)C/C=C/C(=O)NCC(C)(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)but-2-enamide?
The InChIKey is WXEZKFWHGSYTSM-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,3)9-12-10(14)7-6-8-13(4)5/h6-7H,8-9H2,1-5H3,(H,12,14)/b7-6+.
What are the key properties of (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)but-2-enamide?
(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)but-2-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)but-2-enamide is sourced from PubChem (CID 59860413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).