N-(3-formylphenyl)-2,2-dimethylpropanamide

C12H15NO2 — CID 11321686

IUPACN-(3-formylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(C=O)c1
InChIInChI=1S/C12H15NO2/c1-12(2,3)11(15)13-10-6-4-5-9(7-10)8-14/h4-8H,1-3H3,(H,13,15)
InChIKeyNNEBHRSHMHUSMD-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.48
Rot. Bonds2

About N-(3-formylphenyl)-2,2-dimethylpropanamide

N-(3-formylphenyl)-2,2-dimethylpropanamide (PubChem CID 11321686) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(3-formylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-formylphenyl)-2,2-dimethylpropanamide
PubChem CID11321686
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(3-formylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(C=O)c1
InChIInChI=1S/C12H15NO2/c1-12(2,3)11(15)13-10-6-4-5-9(7-10)8-14/h4-8H,1-3H3,(H,13,15)
InChIKeyNNEBHRSHMHUSMD-UHFFFAOYSA-N
XLogP2.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-formylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-formylphenyl)-2,2-dimethylpropanamide (CID 11321686) is N-(3-formylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-formylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-formylphenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(C=O)c1.
What is the InChIKey of N-(3-formylphenyl)-2,2-dimethylpropanamide?
The InChIKey is NNEBHRSHMHUSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2,3)11(15)13-10-6-4-5-9(7-10)8-14/h4-8H,1-3H3,(H,13,15).
What are the key properties of N-(3-formylphenyl)-2,2-dimethylpropanamide?
N-(3-formylphenyl)-2,2-dimethylpropanamide has a molecular weight of 205.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 11321686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).