2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide

C18H19NO4 — CID 7696129

IUPAC2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1c(C)cc(C=O)cc1C
InChIInChI=1S/C18H19NO4/c1-12-8-14(10-20)9-13(2)18(12)23-11-17(21)19-15-6-4-5-7-16(15)22-3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeySLRNLZGYXXQEOA-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.14
Rot. Bonds6

About 2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide

2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide (PubChem CID 7696129) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
PubChem CID7696129
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1c(C)cc(C=O)cc1C
InChIInChI=1S/C18H19NO4/c1-12-8-14(10-20)9-13(2)18(12)23-11-17(21)19-15-6-4-5-7-16(15)22-3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeySLRNLZGYXXQEOA-UHFFFAOYSA-N
XLogP3.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696063
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(2-methylphenyl)acetamide
CID 1008844
N-(5-formyl-2-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 94762984
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 28913373
2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 3955556
N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
CID 28913315
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 776798
N-(2-ethoxy-5-formylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 82156183
2-(5-bromo-4-formyl-2-methoxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 1309651
N-(2-methoxyphenyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24647330
N-(4,5-dimethoxy-2-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 7923885
2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 834898

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide (CID 7696129) is 2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)COc1c(C)cc(C=O)cc1C.
What is the InChIKey of 2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide?
The InChIKey is SLRNLZGYXXQEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12-8-14(10-20)9-13(2)18(12)23-11-17(21)19-15-6-4-5-7-16(15)22-3/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide?
2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide has a molecular weight of 313.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 7696129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).