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

C13H20N2O3 — CID 61128112

IUPAC3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
SMILESCOCCN(C)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C13H20N2O3/c1-15(7-9-17-2)13(16)6-8-18-12-5-3-4-11(14)10-12/h3-5,10H,6-9,14H2,1-2H3
InChIKeyFDZYZDBYHVXDED-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.14
Rot. Bonds7

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

3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide (PubChem CID 61128112) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
PubChem CID61128112
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
SMILESCOCCN(C)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C13H20N2O3/c1-15(7-9-17-2)13(16)6-8-18-12-5-3-4-11(14)10-12/h3-5,10H,6-9,14H2,1-2H3
InChIKeyFDZYZDBYHVXDED-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminophenoxy)-N-butyl-N-methylpropanamide
CID 61091184
3-(3-aminophenoxy)-N-(2-cyanoethyl)-N-methylpropanamide
CID 61093339
3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61127921
3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 61095622
3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide
CID 61116829
3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 61138990
[3-(dimethylamino)-3-oxopropyl] 2-(3-aminophenoxy)acetate
CID 61322470
3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 61094495
3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 61118042
3-(3-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61093633
3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide
CID 61095641
3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 61093289

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide (CID 61128112) is 3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide is COCCN(C)C(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide?
The InChIKey is FDZYZDBYHVXDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(7-9-17-2)13(16)6-8-18-12-5-3-4-11(14)10-12/h3-5,10H,6-9,14H2,1-2H3.
What are the key properties of 3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide?
3-(3-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-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide is sourced from PubChem (CID 61128112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).