N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide

C17H25NO — CID 72568780

IUPACN-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide
SMILESCC(C)(C)C=Cc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H25NO/c1-16(2,3)12-11-13-7-9-14(10-8-13)15(19)18-17(4,5)6/h7-12H,1-6H3,(H,18,19)
InChIKeyGAZVTZCJEFXROI-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.27
Rot. Bonds2

About N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide

N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide (PubChem CID 72568780) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide
PubChem CID72568780
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide
SMILESCC(C)(C)C=Cc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H25NO/c1-16(2,3)12-11-13-7-9-14(10-8-13)15(19)18-17(4,5)6/h7-12H,1-6H3,(H,18,19)
InChIKeyGAZVTZCJEFXROI-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide?
The IUPAC name of N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide (CID 72568780) is N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide.
What is the SMILES notation for N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide?
The canonical SMILES for N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide is CC(C)(C)C=Cc1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide?
The InChIKey is GAZVTZCJEFXROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(2,3)12-11-13-7-9-14(10-8-13)15(19)18-17(4,5)6/h7-12H,1-6H3,(H,18,19).
What are the key properties of N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide?
N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide has a molecular weight of 259.39 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide is sourced from PubChem (CID 72568780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).