2-(3-aminophenoxy)propanamide

C9H12N2O2 — CID 43115971

IUPAC2-(3-aminophenoxy)propanamide
SMILESCC(Oc1cccc(N)c1)C(N)=O
InChIInChI=1S/C9H12N2O2/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,10H2,1H3,(H2,11,12)
InChIKeyQHVAEUSDENYBOO-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.52
Rot. Bonds3

About 2-(3-aminophenoxy)propanamide

2-(3-aminophenoxy)propanamide (PubChem CID 43115971) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(3-aminophenoxy)propanamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)propanamide
PubChem CID43115971
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(3-aminophenoxy)propanamide
SMILESCC(Oc1cccc(N)c1)C(N)=O
InChIInChI=1S/C9H12N2O2/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,10H2,1H3,(H2,11,12)
InChIKeyQHVAEUSDENYBOO-UHFFFAOYSA-N
XLogP0.52
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-aminophenoxy)-N-methylpropanamide
CID 28908554
2-(3-aminophenoxy)-2-methoxyacetamide
CID 152507296
2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307478
2-(3-aminophenoxy)butanamide
CID 62901524
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
2,2,2-trifluoroethyl (2S)-2-(3-aminophenoxy)propanoate
CID 100616854
(4-chlorophenyl) 2-(3-aminophenoxy)propanoate
CID 133164899
(2S)-2-(3-nitrophenoxy)propanamide
CID 7865254
2-(3-aminophenoxy)propan-1-ol
CID 130503390
2-(3-aminophenoxy)-1-(2,4-dimethylphenyl)propan-1-one
CID 46307509
(2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide
CID 93455625
2-(3-aminophenoxy)-1-(2,5-dibromophenyl)propan-1-one
CID 46307593

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)propanamide?
The IUPAC name of 2-(3-aminophenoxy)propanamide (CID 43115971) is 2-(3-aminophenoxy)propanamide.
What is the SMILES notation for 2-(3-aminophenoxy)propanamide?
The canonical SMILES for 2-(3-aminophenoxy)propanamide is CC(Oc1cccc(N)c1)C(N)=O.
What is the InChIKey of 2-(3-aminophenoxy)propanamide?
The InChIKey is QHVAEUSDENYBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,10H2,1H3,(H2,11,12).
What are the key properties of 2-(3-aminophenoxy)propanamide?
2-(3-aminophenoxy)propanamide has a molecular weight of 180.21 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)propanamide is sourced from PubChem (CID 43115971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).