N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide

C19H21NO5 — CID 28913315

IUPACN-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
SMILESCOc1cc(C=O)cc(OC)c1OCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C19H21NO5/c1-12-5-6-15(13(2)7-12)20-18(22)11-25-19-16(23-3)8-14(10-21)9-17(19)24-4/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyDBSOLAFFVOBDLF-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.15
Rot. Bonds7

About N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide

N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide (PubChem CID 28913315) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
PubChem CID28913315
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC NameN-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
SMILESCOc1cc(C=O)cc(OC)c1OCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C19H21NO5/c1-12-5-6-15(13(2)7-12)20-18(22)11-25-19-16(23-3)8-14(10-21)9-17(19)24-4/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyDBSOLAFFVOBDLF-UHFFFAOYSA-N
XLogP3.15
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
CID 126259987
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(2-methylphenyl)acetamide
CID 1008844
2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 7696129
2-(2-chloro-4-formylphenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 17202192
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 19578086
2-(2-chloro-6-ethoxy-4-formylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 28913481
(E)-3-[3-chloro-4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-5-methoxyphenyl]-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide
CID 126260303
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
N-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
CID 28913369
2-[2-chloro-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126263760
N-(2,4-dimethylphenyl)-2-[4-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 110840988
2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 126271360

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide (CID 28913315) is N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide is COc1cc(C=O)cc(OC)c1OCC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide?
The InChIKey is DBSOLAFFVOBDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-12-5-6-15(13(2)7-12)20-18(22)11-25-19-16(23-3)8-14(10-21)9-17(19)24-4/h5-10H,11H2,1-4H3,(H,20,22).
What are the key properties of N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide?
N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide has a molecular weight of 343.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide is sourced from PubChem (CID 28913315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).