2-(3-aminophenoxy)-N,N-diethylacetamide

C12H18N2O2 — CID 16776391

IUPAC2-(3-aminophenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccc(N)c1
InChIInChI=1S/C12H18N2O2/c1-3-14(4-2)12(15)9-16-11-7-5-6-10(13)8-11/h5-8H,3-4,9,13H2,1-2H3
InChIKeyVXFQVHSRMJKAFB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.52
Rot. Bonds5

About 2-(3-aminophenoxy)-N,N-diethylacetamide

2-(3-aminophenoxy)-N,N-diethylacetamide (PubChem CID 16776391) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N,N-diethylacetamide
PubChem CID16776391
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(3-aminophenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccc(N)c1
InChIInChI=1S/C12H18N2O2/c1-3-14(4-2)12(15)9-16-11-7-5-6-10(13)8-11/h5-8H,3-4,9,13H2,1-2H3
InChIKeyVXFQVHSRMJKAFB-UHFFFAOYSA-N
XLogP1.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N,N-diethylacetamide?
The IUPAC name of 2-(3-aminophenoxy)-N,N-diethylacetamide (CID 16776391) is 2-(3-aminophenoxy)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N,N-diethylacetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N,N-diethylacetamide is CCN(CC)C(=O)COc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N,N-diethylacetamide?
The InChIKey is VXFQVHSRMJKAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-14(4-2)12(15)9-16-11-7-5-6-10(13)8-11/h5-8H,3-4,9,13H2,1-2H3.
What are the key properties of 2-(3-aminophenoxy)-N,N-diethylacetamide?
2-(3-aminophenoxy)-N,N-diethylacetamide has a molecular weight of 222.29 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N,N-diethylacetamide is sourced from PubChem (CID 16776391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).