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

C13H17NO — CID 134831914

IUPACN-(3,3-dimethylbut-1-enyl)benzamide
SMILESCC(C)(C)C=CNC(=O)c1ccccc1
InChIInChI=1S/C13H17NO/c1-13(2,3)9-10-14-12(15)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,15)
InChIKeyCIQWYACXCJJJEE-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.98
Rot. Bonds2

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

N-(3,3-dimethylbut-1-enyl)benzamide (PubChem CID 134831914) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-enyl)benzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-enyl)benzamide
PubChem CID134831914
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-(3,3-dimethylbut-1-enyl)benzamide
SMILESCC(C)(C)C=CNC(=O)c1ccccc1
InChIInChI=1S/C13H17NO/c1-13(2,3)9-10-14-12(15)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,15)
InChIKeyCIQWYACXCJJJEE-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(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

N-[(Z)-2-methoxyethenyl]benzamide
CID 92959913
N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide
CID 102308068
N-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide
CID 102327969
1-benzhydryl-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911309
1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea
CID 108911414
N-[(E)-hept-1-enyl]benzamide
CID 6917534
N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
CID 174758628
N-[2-(4-hydroxyphenyl)ethenyl]benzamide
CID 571205
1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-phenylurea
CID 108911461
N-[(E)-dec-1-enyl]benzamide
CID 71501503
2,2-dimethyl-1-phenylbut-3-en-1-one
CID 569795
N-(2,2-dichloroethenyl)benzamide
CID 2131512

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbut-1-enyl)benzamide?
The IUPAC name of N-(3,3-dimethylbut-1-enyl)benzamide (CID 134831914) is N-(3,3-dimethylbut-1-enyl)benzamide.
What is the SMILES notation for N-(3,3-dimethylbut-1-enyl)benzamide?
The canonical SMILES for N-(3,3-dimethylbut-1-enyl)benzamide is CC(C)(C)C=CNC(=O)c1ccccc1.
What is the InChIKey of N-(3,3-dimethylbut-1-enyl)benzamide?
The InChIKey is CIQWYACXCJJJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2,3)9-10-14-12(15)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,15).
What are the key properties of N-(3,3-dimethylbut-1-enyl)benzamide?
N-(3,3-dimethylbut-1-enyl)benzamide has a molecular weight of 203.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbut-1-enyl)benzamide is sourced from PubChem (CID 134831914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).