2-(3-aminophenoxy)-2-methoxyacetamide

C9H12N2O3 — CID 152507296

IUPAC2-(3-aminophenoxy)-2-methoxyacetamide
SMILESCOC(Oc1cccc(N)c1)C(N)=O
InChIInChI=1S/C9H12N2O3/c1-13-9(8(11)12)14-7-4-2-3-6(10)5-7/h2-5,9H,10H2,1H3,(H2,11,12)
InChIKeyYESYFHALSQUIAK-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.11
Rot. Bonds4

About 2-(3-aminophenoxy)-2-methoxyacetamide

2-(3-aminophenoxy)-2-methoxyacetamide (PubChem CID 152507296) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-2-methoxyacetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-2-methoxyacetamide
PubChem CID152507296
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(3-aminophenoxy)-2-methoxyacetamide
SMILESCOC(Oc1cccc(N)c1)C(N)=O
InChIInChI=1S/C9H12N2O3/c1-13-9(8(11)12)14-7-4-2-3-6(10)5-7/h2-5,9H,10H2,1H3,(H2,11,12)
InChIKeyYESYFHALSQUIAK-UHFFFAOYSA-N
XLogP0.11
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenoxy)propanamide
CID 43115971
2-(3-aminophenoxy)butanamide
CID 62901524
2-(3-aminophenoxy)-N,N-dicyclohexyl-2-methoxyacetamide
CID 18672669
methyl 2-(3-aminophenoxy)butanoate
CID 18433398
2-(3-aminophenoxy)propan-1-ol
CID 130503390
(2R)-2-(3-aminophenoxy)-N-methylpropanamide
CID 28908554
(2S)-2-(3-aminophenoxy)butanoic acid
CID 40788014
3-methoxyaniline;sulfane
CID 174447811
2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307478
1-(3-aminophenoxy)butan-1-ol
CID 173226029
(1-amino-1-oxobutan-2-yl) 2-(3-aminophenoxy)acetate
CID 62901789
2,2,2-trifluoroethyl (2S)-2-(3-aminophenoxy)propanoate
CID 100616854

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-2-methoxyacetamide?
The IUPAC name of 2-(3-aminophenoxy)-2-methoxyacetamide (CID 152507296) is 2-(3-aminophenoxy)-2-methoxyacetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-2-methoxyacetamide?
The canonical SMILES for 2-(3-aminophenoxy)-2-methoxyacetamide is COC(Oc1cccc(N)c1)C(N)=O.
What is the InChIKey of 2-(3-aminophenoxy)-2-methoxyacetamide?
The InChIKey is YESYFHALSQUIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-13-9(8(11)12)14-7-4-2-3-6(10)5-7/h2-5,9H,10H2,1H3,(H2,11,12).
What are the key properties of 2-(3-aminophenoxy)-2-methoxyacetamide?
2-(3-aminophenoxy)-2-methoxyacetamide has a molecular weight of 196.21 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-2-methoxyacetamide is sourced from PubChem (CID 152507296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).