N-tert-butyl-4-methyl-2-propan-2-ylpent-3-enamide

C13H25NO — CID 89150845

IUPACN-tert-butyl-4-methyl-2-propan-2-ylpent-3-enamide
SMILESCC(C)=CC(C(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C13H25NO/c1-9(2)8-11(10(3)4)12(15)14-13(5,6)7/h8,10-11H,1-7H3,(H,14,15)
InChIKeyOTCTUVYFWXVBJN-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.14
Rot. Bonds3

About N-tert-butyl-4-methyl-2-propan-2-ylpent-3-enamide

N-tert-butyl-4-methyl-2-propan-2-ylpent-3-enamide (PubChem CID 89150845) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-2-propan-2-ylpent-3-enamide.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-2-propan-2-ylpent-3-enamide
PubChem CID89150845
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-tert-butyl-4-methyl-2-propan-2-ylpent-3-enamide
SMILESCC(C)=CC(C(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C13H25NO/c1-9(2)8-11(10(3)4)12(15)14-13(5,6)7/h8,10-11H,1-7H3,(H,14,15)
InChIKeyOTCTUVYFWXVBJN-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.14
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-4-methyl-2-propan-2-ylpent-3-enamide?
The IUPAC name of N-tert-butyl-4-methyl-2-propan-2-ylpent-3-enamide (CID 89150845) is N-tert-butyl-4-methyl-2-propan-2-ylpent-3-enamide.
What is the SMILES notation for N-tert-butyl-4-methyl-2-propan-2-ylpent-3-enamide?
The canonical SMILES for N-tert-butyl-4-methyl-2-propan-2-ylpent-3-enamide is CC(C)=CC(C(=O)NC(C)(C)C)C(C)C.
What is the InChIKey of N-tert-butyl-4-methyl-2-propan-2-ylpent-3-enamide?
The InChIKey is OTCTUVYFWXVBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-9(2)8-11(10(3)4)12(15)14-13(5,6)7/h8,10-11H,1-7H3,(H,14,15).
What are the key properties of N-tert-butyl-4-methyl-2-propan-2-ylpent-3-enamide?
N-tert-butyl-4-methyl-2-propan-2-ylpent-3-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-2-propan-2-ylpent-3-enamide is sourced from PubChem (CID 89150845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).