(E)-4-(dimethylamino)-2,3-dimethyl-N-propan-2-ylbut-2-enamide

C11H22N2O — CID 134574433

IUPAC(E)-4-(dimethylamino)-2,3-dimethyl-N-propan-2-ylbut-2-enamide
SMILESC/C(CN(C)C)=C(/C)C(=O)NC(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)12-11(14)10(4)9(3)7-13(5)6/h8H,7H2,1-6H3,(H,12,14)/b10-9+
InChIKeyOZFDCADUDKDPSR-MDZDMXLPSA-N
MW198.31 g/mol
LogP1.41
Rot. Bonds4

About (E)-4-(dimethylamino)-2,3-dimethyl-N-propan-2-ylbut-2-enamide

(E)-4-(dimethylamino)-2,3-dimethyl-N-propan-2-ylbut-2-enamide (PubChem CID 134574433) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-2,3-dimethyl-N-propan-2-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-2,3-dimethyl-N-propan-2-ylbut-2-enamide
PubChem CID134574433
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(E)-4-(dimethylamino)-2,3-dimethyl-N-propan-2-ylbut-2-enamide
SMILESC/C(CN(C)C)=C(/C)C(=O)NC(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)12-11(14)10(4)9(3)7-13(5)6/h8H,7H2,1-6H3,(H,12,14)/b10-9+
InChIKeyOZFDCADUDKDPSR-MDZDMXLPSA-N
XLogP1.41
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 ≤ 51.41
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)-2,3-dimethyl-N-propan-2-ylbut-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-2,3-dimethyl-N-propan-2-ylbut-2-enamide (CID 134574433) is (E)-4-(dimethylamino)-2,3-dimethyl-N-propan-2-ylbut-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-2,3-dimethyl-N-propan-2-ylbut-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-2,3-dimethyl-N-propan-2-ylbut-2-enamide is C/C(CN(C)C)=C(/C)C(=O)NC(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-2,3-dimethyl-N-propan-2-ylbut-2-enamide?
The InChIKey is OZFDCADUDKDPSR-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)12-11(14)10(4)9(3)7-13(5)6/h8H,7H2,1-6H3,(H,12,14)/b10-9+.
What are the key properties of (E)-4-(dimethylamino)-2,3-dimethyl-N-propan-2-ylbut-2-enamide?
(E)-4-(dimethylamino)-2,3-dimethyl-N-propan-2-ylbut-2-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-2,3-dimethyl-N-propan-2-ylbut-2-enamide is sourced from PubChem (CID 134574433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).