N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide

C19H21NO4 — CID 978026

IUPACN-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C19H21NO4/c1-4-23-18-10-15(11-21)8-9-17(18)24-12-19(22)20-16-7-5-6-13(2)14(16)3/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyOMEWTMPCPUWKCM-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.53
Rot. Bonds7

About N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide

N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide (PubChem CID 978026) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
PubChem CID978026
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C19H21NO4/c1-4-23-18-10-15(11-21)8-9-17(18)24-12-19(22)20-16-7-5-6-13(2)14(16)3/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyOMEWTMPCPUWKCM-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-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 8010337
2-(2-ethoxy-4-formylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7820624
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-N-(2,3-dimethylphenyl)oxamide
CID 126181002
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 28913395
2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 6457252
ethyl 2-[4-[[[4-(2,3-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-2-ethoxyphenoxy]acetate
CID 5007118
N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 8009706
2-(2-ethoxy-4-formylphenoxy)-N-(3-fluorophenyl)acetamide
CID 8009500
N-(2-ethoxy-5-formylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 82156183
2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 126383812
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide (CID 978026) is N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide is CCOc1cc(C=O)ccc1OCC(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide?
The InChIKey is OMEWTMPCPUWKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-23-18-10-15(11-21)8-9-17(18)24-12-19(22)20-16-7-5-6-13(2)14(16)3/h5-11H,4,12H2,1-3H3,(H,20,22).
What are the key properties of N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide?
N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)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-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide is sourced from PubChem (CID 978026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).