N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide

C14H27NO — CID 20790248

IUPACN-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide
SMILESC=CCC(CC(C)(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H27NO/c1-8-9-11(10-13(2,3)4)12(16)15-14(5,6)7/h8,11H,1,9-10H2,2-7H3,(H,15,16)
InChIKeyIOFZCAAHRGBSMF-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.53
Rot. Bonds4

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

N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide (PubChem CID 20790248) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide
PubChem CID20790248
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide
SMILESC=CCC(CC(C)(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H27NO/c1-8-9-11(10-13(2,3)4)12(16)15-14(5,6)7/h8,11H,1,9-10H2,2-7H3,(H,15,16)
InChIKeyIOFZCAAHRGBSMF-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.53
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 N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide?
The IUPAC name of N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide (CID 20790248) is N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide.
What is the SMILES notation for N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide?
The canonical SMILES for N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide is C=CCC(CC(C)(C)C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide?
The InChIKey is IOFZCAAHRGBSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-8-9-11(10-13(2,3)4)12(16)15-14(5,6)7/h8,11H,1,9-10H2,2-7H3,(H,15,16).
What are the key properties of N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide?
N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide has a molecular weight of 225.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide is sourced from PubChem (CID 20790248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).