2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide

C13H18N2O3 — CID 55190193

IUPAC2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide
SMILESNc1ccc(OCC(=O)NC2CCCOC2)cc1
InChIInChI=1S/C13H18N2O3/c14-10-3-5-12(6-4-10)18-9-13(16)15-11-2-1-7-17-8-11/h3-6,11H,1-2,7-9,14H2,(H,15,16)
InChIKeyMICUXTPVYDYSOO-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.94
Rot. Bonds4

About 2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide

2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide (PubChem CID 55190193) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide
PubChem CID55190193
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide
SMILESNc1ccc(OCC(=O)NC2CCCOC2)cc1
InChIInChI=1S/C13H18N2O3/c14-10-3-5-12(6-4-10)18-9-13(16)15-11-2-1-7-17-8-11/h3-6,11H,1-2,7-9,14H2,(H,15,16)
InChIKeyMICUXTPVYDYSOO-UHFFFAOYSA-N
XLogP0.94
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(oxan-3-yl)-2-phenoxyacetamide
CID 142540024
2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 61138712
2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
CID 28689734
2-(4-aminophenoxy)-N-(1,1-dioxothian-4-yl)acetamide
CID 61102889
3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide
CID 79385591
2-(4-aminophenoxy)-N-(4-ethylcyclohexyl)acetamide
CID 61466103
2-(4-aminophenoxy)-N-(cyclohexylcarbamoyl)acetamide
CID 61026518
2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide
CID 54908932
2-(4-hydroxyphenoxy)-N-(oxan-4-yl)acetamide
CID 55182267
2-(5-amino-2-pyridinyl)-N-(oxolan-3-yl)acetamide
CID 107339286
2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64654058
3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide
CID 61112787

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide (CID 55190193) is 2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide is Nc1ccc(OCC(=O)NC2CCCOC2)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide?
The InChIKey is MICUXTPVYDYSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-10-3-5-12(6-4-10)18-9-13(16)15-11-2-1-7-17-8-11/h3-6,11H,1-2,7-9,14H2,(H,15,16).
What are the key properties of 2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide?
2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide is sourced from PubChem (CID 55190193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).