2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide

C13H18N2O3 — CID 141365248

IUPAC2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCN(C)C(=O)COc1ccc(C=O)cc1
InChIInChI=1S/C13H18N2O3/c1-14-7-8-15(2)13(17)10-18-12-5-3-11(9-16)4-6-12/h3-6,9,14H,7-8,10H2,1-2H3
InChIKeySWGSPUHTVUKMOR-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.56
Rot. Bonds7

About 2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide

2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide (PubChem CID 141365248) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide
PubChem CID141365248
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCN(C)C(=O)COc1ccc(C=O)cc1
InChIInChI=1S/C13H18N2O3/c1-14-7-8-15(2)13(17)10-18-12-5-3-11(9-16)4-6-12/h3-6,9,14H,7-8,10H2,1-2H3
InChIKeySWGSPUHTVUKMOR-UHFFFAOYSA-N
XLogP0.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.56
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

3-[[2-(4-formylphenoxy)acetyl]-methylamino]propanoic acid
CID 82033015
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 8808957
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
N-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide
CID 78761861
N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide
CID 78761830
ethyl 4-(4-formylphenoxy)-3-oxobutanoate
CID 60643731
N-[2-(4-formylphenoxy)ethyl]-N-methyl-2-phenylacetamide
CID 18998896
3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid
CID 75405754
N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 86907760
4-(4-ethoxy-N-methylanilino)benzaldehyde
CID 12657169
propan-2-yl 2-(4-formylphenoxy)acetate
CID 23274286
tert-butyl 2-(4-formylphenoxy)acetate
CID 639902

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide?
The IUPAC name of 2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide (CID 141365248) is 2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide is CNCCN(C)C(=O)COc1ccc(C=O)cc1.
What is the InChIKey of 2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide?
The InChIKey is SWGSPUHTVUKMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14-7-8-15(2)13(17)10-18-12-5-3-11(9-16)4-6-12/h3-6,9,14H,7-8,10H2,1-2H3.
What are the key properties of 2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide?
2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide is sourced from PubChem (CID 141365248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).