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

C13H26N2O — CID 59860453

IUPAC(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide
SMILESCCN(CC(C)(C)C)C(=O)/C=C/CN(C)C
InChIInChI=1S/C13H26N2O/c1-7-15(11-13(2,3)4)12(16)9-8-10-14(5)6/h8-9H,7,10-11H2,1-6H3/b9-8+
InChIKeyZOSDPABWMVRMJL-CMDGGOBGSA-N
MW226.36 g/mol
LogP2.00
Rot. Bonds5

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

(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide (PubChem CID 59860453) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide
PubChem CID59860453
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide
SMILESCCN(CC(C)(C)C)C(=O)/C=C/CN(C)C
InChIInChI=1S/C13H26N2O/c1-7-15(11-13(2,3)4)12(16)9-8-10-14(5)6/h8-9H,7,10-11H2,1-6H3/b9-8+
InChIKeyZOSDPABWMVRMJL-CMDGGOBGSA-N
XLogP2.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
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)-N-ethylbut-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide (CID 59860453) is (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide is CCN(CC(C)(C)C)C(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide?
The InChIKey is ZOSDPABWMVRMJL-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H26N2O/c1-7-15(11-13(2,3)4)12(16)9-8-10-14(5)6/h8-9H,7,10-11H2,1-6H3/b9-8+.
What are the key properties of (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide?
(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide has a molecular weight of 226.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide is sourced from PubChem (CID 59860453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).