2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide

C12H16N2O4 — CID 82057058

IUPAC2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(C=O)cc1N
InChIInChI=1S/C12H16N2O4/c1-17-5-4-14-12(16)8-18-11-3-2-9(7-15)6-10(11)13/h2-3,6-7H,4-5,8,13H2,1H3,(H,14,16)
InChIKeyPTIAZZHFUFAPGJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.22
Rot. Bonds7

About 2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide

2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 82057058) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID82057058
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(C=O)cc1N
InChIInChI=1S/C12H16N2O4/c1-17-5-4-14-12(16)8-18-11-3-2-9(7-15)6-10(11)13/h2-3,6-7H,4-5,8,13H2,1H3,(H,14,16)
InChIKeyPTIAZZHFUFAPGJ-UHFFFAOYSA-N
XLogP0.22
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 35721007
3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide
CID 93216837
N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 34060908
2-(2-amino-4-formylphenoxy)-N-cyclopentylacetamide
CID 82057064
2-(2-bromo-4-formylphenoxy)-N-propylacetamide
CID 55025685
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611948
4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide
CID 93216570
4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid
CID 106954846
[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 61485706
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 43589731
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 62098346

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide (CID 82057058) is 2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1ccc(C=O)cc1N.
What is the InChIKey of 2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is PTIAZZHFUFAPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-17-5-4-14-12(16)8-18-11-3-2-9(7-15)6-10(11)13/h2-3,6-7H,4-5,8,13H2,1H3,(H,14,16).
What are the key properties of 2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide?
2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 252.27 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 82057058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).