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

C13H17NO2 — CID 89484843

IUPACN-(4-formylphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C13H17NO2/c1-4-13(2,3)12(16)14-11-7-5-10(9-15)6-8-11/h5-9H,4H2,1-3H3,(H,14,16)
InChIKeySOMRPRAGZRQDED-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.87
Rot. Bonds4

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

N-(4-formylphenyl)-2,2-dimethylbutanamide (PubChem CID 89484843) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(4-formylphenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-formylphenyl)-2,2-dimethylbutanamide
PubChem CID89484843
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(4-formylphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C13H17NO2/c1-4-13(2,3)12(16)14-11-7-5-10(9-15)6-8-11/h5-9H,4H2,1-3H3,(H,14,16)
InChIKeySOMRPRAGZRQDED-UHFFFAOYSA-N
XLogP2.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
N-(4-formylphenyl)-2-methoxy-2-methylpropanamide
CID 106912194
2,2-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]butanamide
CID 177287967
N-(4-formylphenyl)-3,3-dimethylbutanamide
CID 106912209
N-(4-carbamothioylphenyl)-2,2-dimethylbutanamide
CID 55103346
N-[4-[2-(8-hydroxynaphthalen-2-yl)ethenyl]phenyl]-2,2-dimethylbutanamide
CID 54079414
2-[4-(2,2-dimethylbutanoylamino)anilino]propanoic acid
CID 59104816
2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 59806865
N-(4-formylphenyl)butanamide
CID 14471017
[[4-(2,2-dimethylbutanoylamino)phenyl]-hydroxy-propan-2-ylidene-λ6-sulfanylidene]methanolate
CID 23561590
2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanylacetic acid
CID 23382692
N-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide
CID 66908403

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(4-formylphenyl)-2,2-dimethylbutanamide (CID 89484843) is N-(4-formylphenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(4-formylphenyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(4-formylphenyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(C=O)cc1.
What is the InChIKey of N-(4-formylphenyl)-2,2-dimethylbutanamide?
The InChIKey is SOMRPRAGZRQDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-13(2,3)12(16)14-11-7-5-10(9-15)6-8-11/h5-9H,4H2,1-3H3,(H,14,16).
What are the key properties of N-(4-formylphenyl)-2,2-dimethylbutanamide?
N-(4-formylphenyl)-2,2-dimethylbutanamide has a molecular weight of 219.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 89484843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).