(E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide

C13H23NO — CID 102084152

IUPAC(E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide
SMILESC=C(/C=C/C(=O)NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H23NO/c1-10(12(2,3)4)8-9-11(15)14-13(5,6)7/h8-9H,1H2,2-7H3,(H,14,15)/b9-8+
InChIKeyZPOXZFAWPJKTCP-CMDGGOBGSA-N
MW209.33 g/mol
LogP3.06
Rot. Bonds2

About (E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide

(E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide (PubChem CID 102084152) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide
PubChem CID102084152
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide
SMILESC=C(/C=C/C(=O)NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H23NO/c1-10(12(2,3)4)8-9-11(15)14-13(5,6)7/h8-9H,1H2,2-7H3,(H,14,15)/b9-8+
InChIKeyZPOXZFAWPJKTCP-CMDGGOBGSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide?
The IUPAC name of (E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide (CID 102084152) is (E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide is C=C(/C=C/C(=O)NC(C)(C)C)C(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide?
The InChIKey is ZPOXZFAWPJKTCP-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(12(2,3)4)8-9-11(15)14-13(5,6)7/h8-9H,1H2,2-7H3,(H,14,15)/b9-8+.
What are the key properties of (E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide?
(E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide has a molecular weight of 209.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide is sourced from PubChem (CID 102084152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).