(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide

C15H29NO — CID 20790245

IUPAC(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide
SMILESC/C=C/CC(CC(C)(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H29NO/c1-8-9-10-12(11-14(2,3)4)13(17)16-15(5,6)7/h8-9,12H,10-11H2,1-7H3,(H,16,17)/b9-8+
InChIKeyDMMYNMJLPRMYMX-CMDGGOBGSA-N
MW239.40 g/mol
LogP3.92
Rot. Bonds4

About (E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide

(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide (PubChem CID 20790245) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide
PubChem CID20790245
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide
SMILESC/C=C/CC(CC(C)(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H29NO/c1-8-9-10-12(11-14(2,3)4)13(17)16-15(5,6)7/h8-9,12H,10-11H2,1-7H3,(H,16,17)/b9-8+
InChIKeyDMMYNMJLPRMYMX-CMDGGOBGSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide?
The IUPAC name of (E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide (CID 20790245) is (E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide.
What is the SMILES notation for (E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide?
The canonical SMILES for (E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide is C/C=C/CC(CC(C)(C)C)C(=O)NC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide?
The InChIKey is DMMYNMJLPRMYMX-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H29NO/c1-8-9-10-12(11-14(2,3)4)13(17)16-15(5,6)7/h8-9,12H,10-11H2,1-7H3,(H,16,17)/b9-8+.
What are the key properties of (E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide?
(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide has a molecular weight of 239.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide is sourced from PubChem (CID 20790245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).