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

C19H21NO4 — CID 7696063

IUPACN-(2-ethoxyphenyl)-2-(4-formyl-2,6-dimethylphenoxy)acetamide
SMILESCCOc1ccccc1NC(=O)COc1c(C)cc(C=O)cc1C
InChIInChI=1S/C19H21NO4/c1-4-23-17-8-6-5-7-16(17)20-18(22)12-24-19-13(2)9-15(11-21)10-14(19)3/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyMCTMHVAEOMBZIG-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.53
Rot. Bonds7

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

N-(2-ethoxyphenyl)-2-(4-formyl-2,6-dimethylphenoxy)acetamide (PubChem CID 7696063) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(4-formyl-2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(4-formyl-2,6-dimethylphenoxy)acetamide
PubChem CID7696063
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-(2-ethoxyphenyl)-2-(4-formyl-2,6-dimethylphenoxy)acetamide
SMILESCCOc1ccccc1NC(=O)COc1c(C)cc(C=O)cc1C
InChIInChI=1S/C19H21NO4/c1-4-23-17-8-6-5-7-16(17)20-18(22)12-24-19-13(2)9-15(11-21)10-14(19)3/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyMCTMHVAEOMBZIG-UHFFFAOYSA-N
XLogP3.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.53
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

2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 7696129
2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 834898
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 28913373
2-(2-chloro-4,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 23790866
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997830
N-(2-ethoxy-5-formylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 82156183
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399
N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 978026
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-chlorophenyl)acetamide
CID 1284879
2-(4-bromo-3,5-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1329034
N-(2-ethoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78768376
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(4-formyl-2,6-dimethylphenoxy)acetamide (CID 7696063) is N-(2-ethoxyphenyl)-2-(4-formyl-2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(4-formyl-2,6-dimethylphenoxy)acetamide is CCOc1ccccc1NC(=O)COc1c(C)cc(C=O)cc1C.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
The InChIKey is MCTMHVAEOMBZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-23-17-8-6-5-7-16(17)20-18(22)12-24-19-13(2)9-15(11-21)10-14(19)3/h5-11H,4,12H2,1-3H3,(H,20,22).
What are the key properties of N-(2-ethoxyphenyl)-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
N-(2-ethoxyphenyl)-2-(4-formyl-2,6-dimethylphenoxy)acetamide has a molecular weight of 327.38 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(4-formyl-2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 7696063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).