N-(4-formylphenyl)-2-methoxy-2-methylpropanamide

C12H15NO3 — CID 106912194

IUPACN-(4-formylphenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C12H15NO3/c1-12(2,16-3)11(15)13-10-6-4-9(8-14)5-7-10/h4-8H,1-3H3,(H,13,15)
InChIKeyWTODWQJRNDDFFL-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.86
Rot. Bonds4

About N-(4-formylphenyl)-2-methoxy-2-methylpropanamide

N-(4-formylphenyl)-2-methoxy-2-methylpropanamide (PubChem CID 106912194) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(4-formylphenyl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-formylphenyl)-2-methoxy-2-methylpropanamide
PubChem CID106912194
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-(4-formylphenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C12H15NO3/c1-12(2,16-3)11(15)13-10-6-4-9(8-14)5-7-10/h4-8H,1-3H3,(H,13,15)
InChIKeyWTODWQJRNDDFFL-UHFFFAOYSA-N
XLogP1.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-formylphenyl)-2,2-dimethylbutanamide
CID 89484843
N-(4-acetylphenyl)-2-methoxy-2-methylpropanamide
CID 113233232
2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 18709942
2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
CID 113424569
N-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103771888
N-(4-formylphenyl)-3,3-dimethylbutanamide
CID 106912209
2-methoxy-2-methyl-N-thiophen-3-ylpropanamide
CID 103678845
N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide
CID 103017832
2-methoxy-N-[4-(2-methoxyphenoxy)phenyl]-2-methylpropanamide
CID 131944896
4-[4-(2-methoxypropan-2-yl)benzoyl]benzaldehyde
CID 145003419
methyl 3-(4-formylanilino)propanoate
CID 21163305
4-(hydroperoxyamino)benzaldehyde
CID 20722953

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(4-formylphenyl)-2-methoxy-2-methylpropanamide (CID 106912194) is N-(4-formylphenyl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(4-formylphenyl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(4-formylphenyl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1ccc(C=O)cc1.
What is the InChIKey of N-(4-formylphenyl)-2-methoxy-2-methylpropanamide?
The InChIKey is WTODWQJRNDDFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-12(2,16-3)11(15)13-10-6-4-9(8-14)5-7-10/h4-8H,1-3H3,(H,13,15).
What are the key properties of N-(4-formylphenyl)-2-methoxy-2-methylpropanamide?
N-(4-formylphenyl)-2-methoxy-2-methylpropanamide has a molecular weight of 221.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 106912194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).