[(4-ethenylbenzoyl)amino] 2,2-dimethylpropanoate

C14H17NO3 — CID 176522385

IUPAC[(4-ethenylbenzoyl)amino] 2,2-dimethylpropanoate
SMILESC=Cc1ccc(C(=O)NOC(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H17NO3/c1-5-10-6-8-11(9-7-10)12(16)15-18-13(17)14(2,3)4/h5-9H,1H2,2-4H3,(H,15,16)
InChIKeyAAOBJDKMAZKRFW-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.56
Rot. Bonds2

About [(4-ethenylbenzoyl)amino] 2,2-dimethylpropanoate

[(4-ethenylbenzoyl)amino] 2,2-dimethylpropanoate (PubChem CID 176522385) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [(4-ethenylbenzoyl)amino] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(4-ethenylbenzoyl)amino] 2,2-dimethylpropanoate
PubChem CID176522385
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[(4-ethenylbenzoyl)amino] 2,2-dimethylpropanoate
SMILESC=Cc1ccc(C(=O)NOC(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H17NO3/c1-5-10-6-8-11(9-7-10)12(16)15-18-13(17)14(2,3)4/h5-9H,1H2,2-4H3,(H,15,16)
InChIKeyAAOBJDKMAZKRFW-UHFFFAOYSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzohydroxamic acid
CID 10313
4-Methylbenzamide
CID 69274
Carboxycinnamic Acid Bishydroxamide
CID 5353484
Terephthalamide
CID 76381
m-Toluamide
CID 69253
N-hydroxy-4-methylbenzamide
CID 426839
N-Hydroxy-4-iodobenzamide
CID 615643
p-(tert-Butyl)benzamide
CID 92014
Benzadox
CID 21322
Biphenylhydroxamic acid
CID 44369716
Potassium benzohydroxamate
CID 3808331
Terephthalyldihydroxamic acid
CID 88356

Frequently Asked Questions

What is the IUPAC name of [(4-ethenylbenzoyl)amino] 2,2-dimethylpropanoate?
The IUPAC name of [(4-ethenylbenzoyl)amino] 2,2-dimethylpropanoate (CID 176522385) is [(4-ethenylbenzoyl)amino] 2,2-dimethylpropanoate.
What is the SMILES notation for [(4-ethenylbenzoyl)amino] 2,2-dimethylpropanoate?
The canonical SMILES for [(4-ethenylbenzoyl)amino] 2,2-dimethylpropanoate is C=Cc1ccc(C(=O)NOC(=O)C(C)(C)C)cc1.
What is the InChIKey of [(4-ethenylbenzoyl)amino] 2,2-dimethylpropanoate?
The InChIKey is AAOBJDKMAZKRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-5-10-6-8-11(9-7-10)12(16)15-18-13(17)14(2,3)4/h5-9H,1H2,2-4H3,(H,15,16).
What are the key properties of [(4-ethenylbenzoyl)amino] 2,2-dimethylpropanoate?
[(4-ethenylbenzoyl)amino] 2,2-dimethylpropanoate has a molecular weight of 247.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-ethenylbenzoyl)amino] 2,2-dimethylpropanoate is sourced from PubChem (CID 176522385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).