N-(4-formylphenyl)-3,3-dimethylbutanamide

C13H17NO2 — CID 106912209

IUPACN-(4-formylphenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C13H17NO2/c1-13(2,3)8-12(16)14-11-6-4-10(9-15)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyKVVRUIKKNARIPM-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.87
Rot. Bonds3

About N-(4-formylphenyl)-3,3-dimethylbutanamide

N-(4-formylphenyl)-3,3-dimethylbutanamide (PubChem CID 106912209) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(4-formylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-formylphenyl)-3,3-dimethylbutanamide
PubChem CID106912209
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(4-formylphenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C13H17NO2/c1-13(2,3)8-12(16)14-11-6-4-10(9-15)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyKVVRUIKKNARIPM-UHFFFAOYSA-N
XLogP2.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-formylphenyl)butanamide
CID 14471017
N-[4-(2-bromoethyl)phenyl]-3,3-dimethylbutanamide
CID 114310364
3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 26907229
N-(4-formylphenyl)-2,2-dimethylbutanamide
CID 89484843
N-(4-formylphenyl)but-3-enamide
CID 142510252
3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide
CID 106910360
N-(4-formylphenyl)-2-phenylacetamide
CID 56932050
N-(4-formylphenyl)-2-methoxy-2-methylpropanamide
CID 106912194
N-[4-(cyanomethyl)phenyl]-3,3-dimethylbutanamide
CID 55021427
2-cyclobutyl-N-(4-formylphenyl)acetamide
CID 106912258
N-(3,4-difluorophenyl)-3,3-dimethylbutanamide
CID 842282
N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 3391312

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(4-formylphenyl)-3,3-dimethylbutanamide (CID 106912209) is N-(4-formylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(4-formylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(4-formylphenyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1ccc(C=O)cc1.
What is the InChIKey of N-(4-formylphenyl)-3,3-dimethylbutanamide?
The InChIKey is KVVRUIKKNARIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,3)8-12(16)14-11-6-4-10(9-15)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16).
What are the key properties of N-(4-formylphenyl)-3,3-dimethylbutanamide?
N-(4-formylphenyl)-3,3-dimethylbutanamide has a molecular weight of 219.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 106912209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).