N-(4-formylphenyl)-N,2-dimethylpropanamide

C12H15NO2 — CID 142058328

IUPACN-(4-formylphenyl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1ccc(C=O)cc1
InChIInChI=1S/C12H15NO2/c1-9(2)12(15)13(3)11-6-4-10(8-14)5-7-11/h4-9H,1-3H3
InChIKeyNEHIJWUTTFNYHO-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.12
Rot. Bonds3

About N-(4-formylphenyl)-N,2-dimethylpropanamide

N-(4-formylphenyl)-N,2-dimethylpropanamide (PubChem CID 142058328) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(4-formylphenyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-formylphenyl)-N,2-dimethylpropanamide
PubChem CID142058328
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(4-formylphenyl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1ccc(C=O)cc1
InChIInChI=1S/C12H15NO2/c1-9(2)12(15)13(3)11-6-4-10(8-14)5-7-11/h4-9H,1-3H3
InChIKeyNEHIJWUTTFNYHO-UHFFFAOYSA-N
XLogP2.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
CID 28755580
tert-butyl N-(4-formylphenyl)-N-methylcarbamate
CID 58592072
N-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide
CID 144916183
ethyl 2-(4-formyl-N-methylanilino)propanoate
CID 12038866
2-(N-ethyl-4-formylanilino)propanoic acid
CID 54172194
4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde
CID 103189615
2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 11063778
2-amino-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 23221170
2-[4-formyl-N-(2-methylpropyl)anilino]acetamide
CID 55003104
4-hydroxybenzaldehyde;propan-2-ol
CID 18939132
ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate
CID 146802367
4-[(3-chloro-2-hydroxypropyl)-methylamino]benzaldehyde
CID 23461928

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)-N,2-dimethylpropanamide?
The IUPAC name of N-(4-formylphenyl)-N,2-dimethylpropanamide (CID 142058328) is N-(4-formylphenyl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-(4-formylphenyl)-N,2-dimethylpropanamide?
The canonical SMILES for N-(4-formylphenyl)-N,2-dimethylpropanamide is CC(C)C(=O)N(C)c1ccc(C=O)cc1.
What is the InChIKey of N-(4-formylphenyl)-N,2-dimethylpropanamide?
The InChIKey is NEHIJWUTTFNYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(2)12(15)13(3)11-6-4-10(8-14)5-7-11/h4-9H,1-3H3.
What are the key properties of N-(4-formylphenyl)-N,2-dimethylpropanamide?
N-(4-formylphenyl)-N,2-dimethylpropanamide has a molecular weight of 205.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 142058328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).