N-[2-(4-aminophenoxy)ethyl]-N-methylacetamide

C11H16N2O2 — CID 51663617

IUPACN-[2-(4-aminophenoxy)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCOc1ccc(N)cc1
InChIInChI=1S/C11H16N2O2/c1-9(14)13(2)7-8-15-11-5-3-10(12)4-6-11/h3-6H,7-8,12H2,1-2H3
InChIKeySJXXYOPQADDFFE-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.13
Rot. Bonds4

About N-[2-(4-aminophenoxy)ethyl]-N-methylacetamide

N-[2-(4-aminophenoxy)ethyl]-N-methylacetamide (PubChem CID 51663617) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-N-methylacetamide
PubChem CID51663617
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCOc1ccc(N)cc1
InChIInChI=1S/C11H16N2O2/c1-9(14)13(2)7-8-15-11-5-3-10(12)4-6-11/h3-6H,7-8,12H2,1-2H3
InChIKeySJXXYOPQADDFFE-UHFFFAOYSA-N
XLogP1.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-N-methylacetamide?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-N-methylacetamide (CID 51663617) is N-[2-(4-aminophenoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-N-methylacetamide is CC(=O)N(C)CCOc1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-N-methylacetamide?
The InChIKey is SJXXYOPQADDFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(14)13(2)7-8-15-11-5-3-10(12)4-6-11/h3-6H,7-8,12H2,1-2H3.
What are the key properties of N-[2-(4-aminophenoxy)ethyl]-N-methylacetamide?
N-[2-(4-aminophenoxy)ethyl]-N-methylacetamide has a molecular weight of 208.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 51663617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).