(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide

C15H27NO — CID 20790207

IUPAC(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide
SMILESC/C=C/CC(CC1CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27NO/c1-5-6-10-13(11-12-8-7-9-12)14(17)16-15(2,3)4/h5-6,12-13H,7-11H2,1-4H3,(H,16,17)/b6-5+
InChIKeyIAAJJOXCDVKEHR-AATRIKPKSA-N
MW237.39 g/mol
LogP3.67
Rot. Bonds5

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

(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide (PubChem CID 20790207) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide
PubChem CID20790207
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide
SMILESC/C=C/CC(CC1CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27NO/c1-5-6-10-13(11-12-8-7-9-12)14(17)16-15(2,3)4/h5-6,12-13H,7-11H2,1-4H3,(H,16,17)/b6-5+
InChIKeyIAAJJOXCDVKEHR-AATRIKPKSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.67
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-(cyclobutylmethyl)hex-4-enamide?
The IUPAC name of (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide (CID 20790207) is (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide.
What is the SMILES notation for (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide?
The canonical SMILES for (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide is C/C=C/CC(CC1CCC1)C(=O)NC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide?
The InChIKey is IAAJJOXCDVKEHR-AATRIKPKSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-6-10-13(11-12-8-7-9-12)14(17)16-15(2,3)4/h5-6,12-13H,7-11H2,1-4H3,(H,16,17)/b6-5+.
What are the key properties of (E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide?
(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide has a molecular weight of 237.39 g/mol, XLogP of 3.67, 5 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-(cyclobutylmethyl)hex-4-enamide is sourced from PubChem (CID 20790207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).