2-benzylidene-3,3-dimethylbutanamide

C13H17NO — CID 67615260

IUPAC2-benzylidene-3,3-dimethylbutanamide
SMILESCC(C)(C)C(=Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H17NO/c1-13(2,3)11(12(14)15)9-10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,14,15)
InChIKeyWUYICIGUFURKBF-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.60
Rot. Bonds2

About 2-benzylidene-3,3-dimethylbutanamide

2-benzylidene-3,3-dimethylbutanamide (PubChem CID 67615260) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-benzylidene-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-benzylidene-3,3-dimethylbutanamide
PubChem CID67615260
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-benzylidene-3,3-dimethylbutanamide
SMILESCC(C)(C)C(=Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H17NO/c1-13(2,3)11(12(14)15)9-10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,14,15)
InChIKeyWUYICIGUFURKBF-UHFFFAOYSA-N
XLogP2.60
TPSA43.09 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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E,5E)-3,5-dibenzylidene-2,2,6,6-tetramethylheptan-4-one
CID 139998466
2-benzylidene-3,3-dimethylbutanoic acid;2-phenylethenol
CID 70130981
(2Z)-2-benzylidene-N-ethyl-3,3-dimethylbutanamide
CID 70841269
2-amino-3-phenylprop-2-enamide
CID 70617640
N-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine
CID 150998431
(E)-2-chloro-3-phenylprop-2-enamide
CID 909679
(2E)-2-benzylidene-3-methylbutanamide
CID 20836396
2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one
CID 66616036
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
(2Z)-2-[(4-chlorophenyl)methylidene]-3,3-dimethylbutanoic acid
CID 115042918
(2Z)-2-[(3-fluorophenyl)methylidene]-3,3-dimethylbutanoic acid
CID 87902667
(2E)-2-[(3-bromophenyl)methylidene]-3,3-dimethylbutanoic acid
CID 67317624

Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-3,3-dimethylbutanamide?
The IUPAC name of 2-benzylidene-3,3-dimethylbutanamide (CID 67615260) is 2-benzylidene-3,3-dimethylbutanamide.
What is the SMILES notation for 2-benzylidene-3,3-dimethylbutanamide?
The canonical SMILES for 2-benzylidene-3,3-dimethylbutanamide is CC(C)(C)C(=Cc1ccccc1)C(N)=O.
What is the InChIKey of 2-benzylidene-3,3-dimethylbutanamide?
The InChIKey is WUYICIGUFURKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2,3)11(12(14)15)9-10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,14,15).
What are the key properties of 2-benzylidene-3,3-dimethylbutanamide?
2-benzylidene-3,3-dimethylbutanamide has a molecular weight of 203.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-3,3-dimethylbutanamide is sourced from PubChem (CID 67615260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).