3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide

C13H20N2O3 — CID 61127921

IUPAC3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
SMILESCOCCN(C)C(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C13H20N2O3/c1-15(8-10-17-2)13(16)7-9-18-12-5-3-11(14)4-6-12/h3-6H,7-10,14H2,1-2H3
InChIKeyBOACJLAAXNUKQF-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.14
Rot. Bonds7

About 3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide

3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide (PubChem CID 61127921) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
PubChem CID61127921
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
SMILESCOCCN(C)C(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C13H20N2O3/c1-15(8-10-17-2)13(16)7-9-18-12-5-3-11(14)4-6-12/h3-6H,7-10,14H2,1-2H3
InChIKeyBOACJLAAXNUKQF-UHFFFAOYSA-N
XLogP1.14
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide
CID 61126914
3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide
CID 63694079
3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide
CID 113498542
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874
3-methoxypropyl 3-(4-aminophenoxy)propanoate
CID 61310802
N-(2-hydroxyethyl)-3-(4-methoxyphenoxy)-N-methylpropanamide
CID 60652618
4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline
CID 61427012
2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 119695381
3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 61115959
3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide
CID 61093094

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide (CID 61127921) is 3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide is COCCN(C)C(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide?
The InChIKey is BOACJLAAXNUKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(8-10-17-2)13(16)7-9-18-12-5-3-11(14)4-6-12/h3-6H,7-10,14H2,1-2H3.
What are the key properties of 3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide?
3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide is sourced from PubChem (CID 61127921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).