N-benzyl-4-(3,3-dimethylbut-1-enyl)benzamide

C20H23NO — CID 85424416

IUPACN-benzyl-4-(3,3-dimethylbut-1-enyl)benzamide
SMILESCC(C)(C)C=Cc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H23NO/c1-20(2,3)14-13-16-9-11-18(12-10-16)19(22)21-15-17-7-5-4-6-8-17/h4-14H,15H2,1-3H3,(H,21,22)
InChIKeyWQXWQSBQNHNCPZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.68
Rot. Bonds4

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

N-benzyl-4-(3,3-dimethylbut-1-enyl)benzamide (PubChem CID 85424416) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is N-benzyl-4-(3,3-dimethylbut-1-enyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(3,3-dimethylbut-1-enyl)benzamide
PubChem CID85424416
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC NameN-benzyl-4-(3,3-dimethylbut-1-enyl)benzamide
SMILESCC(C)(C)C=Cc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H23NO/c1-20(2,3)14-13-16-9-11-18(12-10-16)19(22)21-15-17-7-5-4-6-8-17/h4-14H,15H2,1-3H3,(H,21,22)
InChIKeyWQXWQSBQNHNCPZ-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyl-4-(3,3-dimethylbut-1-enyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 59811458
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide
CID 72568780
4-(benzamidomethyl)benzoic acid
CID 10879683
tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 9041136
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-benzyl-3,5-ditert-butylbenzamide
CID 11267280
N-benzyl-4-(propylamino)benzamide
CID 62172438
N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide
CID 72771533
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
4-(3,3-dimethylbut-1-enyl)-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 72629224
4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide
CID 11529895

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3,3-dimethylbut-1-enyl)benzamide?
The IUPAC name of N-benzyl-4-(3,3-dimethylbut-1-enyl)benzamide (CID 85424416) is N-benzyl-4-(3,3-dimethylbut-1-enyl)benzamide.
What is the SMILES notation for N-benzyl-4-(3,3-dimethylbut-1-enyl)benzamide?
The canonical SMILES for N-benzyl-4-(3,3-dimethylbut-1-enyl)benzamide is CC(C)(C)C=Cc1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-(3,3-dimethylbut-1-enyl)benzamide?
The InChIKey is WQXWQSBQNHNCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-20(2,3)14-13-16-9-11-18(12-10-16)19(22)21-15-17-7-5-4-6-8-17/h4-14H,15H2,1-3H3,(H,21,22).
What are the key properties of N-benzyl-4-(3,3-dimethylbut-1-enyl)benzamide?
N-benzyl-4-(3,3-dimethylbut-1-enyl)benzamide has a molecular weight of 293.41 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3,3-dimethylbut-1-enyl)benzamide is sourced from PubChem (CID 85424416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).