2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide

C14H22N2O2 — CID 61093481

IUPAC2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide
SMILESCCCC(C)N(C)C(=O)COc1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-4-6-11(2)16(3)14(17)10-18-13-8-5-7-12(15)9-13/h5,7-9,11H,4,6,10,15H2,1-3H3
InChIKeyHDGAKYWVXPIORL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.29
Rot. Bonds6

About 2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide

2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide (PubChem CID 61093481) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide
PubChem CID61093481
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide
SMILESCCCC(C)N(C)C(=O)COc1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-4-6-11(2)16(3)14(17)10-18-13-8-5-7-12(15)9-13/h5,7-9,11H,4,6,10,15H2,1-3H3
InChIKeyHDGAKYWVXPIORL-UHFFFAOYSA-N
XLogP2.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide (CID 61093481) is 2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide is CCCC(C)N(C)C(=O)COc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide?
The InChIKey is HDGAKYWVXPIORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-6-11(2)16(3)14(17)10-18-13-8-5-7-12(15)9-13/h5,7-9,11H,4,6,10,15H2,1-3H3.
What are the key properties of 2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide?
2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide has a molecular weight of 250.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide is sourced from PubChem (CID 61093481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).