N-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide

C14H19NO3 — CID 82156146

IUPACN-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide
SMILESCCOc1ccc(C=O)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C14H19NO3/c1-5-18-12-7-6-10(9-16)8-11(12)15-13(17)14(2,3)4/h6-9H,5H2,1-4H3,(H,15,17)
InChIKeyWNTZTKJHKWEVQP-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.88
Rot. Bonds4

About N-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide

N-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide (PubChem CID 82156146) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide
PubChem CID82156146
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide
SMILESCCOc1ccc(C=O)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C14H19NO3/c1-5-18-12-7-6-10(9-16)8-11(12)15-13(17)14(2,3)4/h6-9H,5H2,1-4H3,(H,15,17)
InChIKeyWNTZTKJHKWEVQP-UHFFFAOYSA-N
XLogP2.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.88
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-(2-ethoxy-5-formylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 82156183
N-(2-ethoxy-5-formylphenyl)-2-(3-methoxyphenoxy)acetamide
CID 82156185
tert-butyl N-[5-formyl-2-(methoxymethoxy)phenyl]carbamate
CID 172603546
tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol
CID 144638830
4-ethoxy-3-ethylbenzaldehyde
CID 53410104
2-bromo-N-(5-formyl-2-methoxyphenyl)acetamide
CID 169448896
N-[4-(2-bromo-2-methylpropyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide
CID 82259619
N-(2,5-diethoxyphenyl)-2-(ethylamino)-2-methylpropanamide
CID 62831543
N-(5-formyl-2-propoxyphenyl)-3-methylbutanamide
CID 82156208
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932
N-(5-formyl-2-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 94762984
N-(2-ethoxyphenyl)-4-formylbenzamide
CID 134025431

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide (CID 82156146) is N-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide is CCOc1ccc(C=O)cc1NC(=O)C(C)(C)C.
What is the InChIKey of N-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide?
The InChIKey is WNTZTKJHKWEVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-5-18-12-7-6-10(9-16)8-11(12)15-13(17)14(2,3)4/h6-9H,5H2,1-4H3,(H,15,17).
What are the key properties of N-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide?
N-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 82156146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).