N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide

C19H21NO3 — CID 23409164

IUPACN-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide
SMILESCCc1cccc(CC)c1NC(=O)COc1ccc(C=O)cc1
InChIInChI=1S/C19H21NO3/c1-3-15-6-5-7-16(4-2)19(15)20-18(22)13-23-17-10-8-14(12-21)9-11-17/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyKLTDZOKXWMMJDJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.64
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide

N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide (PubChem CID 23409164) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide
PubChem CID23409164
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide
SMILESCCc1cccc(CC)c1NC(=O)COc1ccc(C=O)cc1
InChIInChI=1S/C19H21NO3/c1-3-15-6-5-7-16(4-2)19(15)20-18(22)13-23-17-10-8-14(12-21)9-11-17/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyKLTDZOKXWMMJDJ-UHFFFAOYSA-N
XLogP3.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.64
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

2-(4-acetamidophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 2606243
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 7643309
N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643132
2-(3,5-dichlorophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 7467237
N-(2-ethyl-6-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19172373
butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate
CID 7984493
2-(3-acetamidophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 7697860
N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 17396613
N-(2-bromophenyl)-2-(4-formylphenoxy)acetamide
CID 23410083
N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide
CID 19174107
N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide
CID 78761830
2-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 769435

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide (CID 23409164) is N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide is CCc1cccc(CC)c1NC(=O)COc1ccc(C=O)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide?
The InChIKey is KLTDZOKXWMMJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-15-6-5-7-16(4-2)19(15)20-18(22)13-23-17-10-8-14(12-21)9-11-17/h5-12H,3-4,13H2,1-2H3,(H,20,22).
What are the key properties of N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide?
N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide is sourced from PubChem (CID 23409164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).