N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide

C14H25NO — CID 20790186

IUPACN-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide
SMILESC=CCCC(CC(=C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H25NO/c1-7-8-9-12(10-11(2)3)13(16)15-14(4,5)6/h7,12H,1-2,8-10H2,3-6H3,(H,15,16)
InChIKeyVATOMFFWNMWVKN-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.45
Rot. Bonds6

About N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide

N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide (PubChem CID 20790186) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide
PubChem CID20790186
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide
SMILESC=CCCC(CC(=C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H25NO/c1-7-8-9-12(10-11(2)3)13(16)15-14(4,5)6/h7,12H,1-2,8-10H2,3-6H3,(H,15,16)
InChIKeyVATOMFFWNMWVKN-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.45
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-methylprop-2-enyl)hex-5-enamide?
The IUPAC name of N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide (CID 20790186) is N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide.
What is the SMILES notation for N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide?
The canonical SMILES for N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide is C=CCCC(CC(=C)C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide?
The InChIKey is VATOMFFWNMWVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-7-8-9-12(10-11(2)3)13(16)15-14(4,5)6/h7,12H,1-2,8-10H2,3-6H3,(H,15,16).
What are the key properties of N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide?
N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide has a molecular weight of 223.36 g/mol, XLogP of 3.45, 6 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-methylprop-2-enyl)hex-5-enamide is sourced from PubChem (CID 20790186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).