2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C16H16N2O4 — CID 43823034

IUPAC2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESNc1ccccc1OCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H16N2O4/c17-12-3-1-2-4-13(12)22-10-16(19)18-11-5-6-14-15(9-11)21-8-7-20-14/h1-6,9H,7-8,10,17H2,(H,18,19)
InChIKeyCBYAOCWPZJLADQ-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.06
Rot. Bonds4

About 2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 43823034) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID43823034
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESNc1ccccc1OCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H16N2O4/c17-12-3-1-2-4-13(12)22-10-16(19)18-11-5-6-14-15(9-11)21-8-7-20-14/h1-6,9H,7-8,10,17H2,(H,18,19)
InChIKeyCBYAOCWPZJLADQ-UHFFFAOYSA-N
XLogP2.06
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxyphenoxy)acetamide
CID 2578550
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide
CID 7707153
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-naphthalen-1-yloxyacetamide
CID 7860156
N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide
CID 7730837
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 110370718
2-(2-aminophenoxy)-N-(4-fluorophenyl)acetamide
CID 16789642
2-(4-bromo-2-formylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7819897
2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1363827
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-aminopyridine-3-carboxylate
CID 8893764
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921754
2-(2-benzoyl-5-methoxyphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2579090

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 43823034) is 2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is Nc1ccccc1OCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is CBYAOCWPZJLADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c17-12-3-1-2-4-13(12)22-10-16(19)18-11-5-6-14-15(9-11)21-8-7-20-14/h1-6,9H,7-8,10,17H2,(H,18,19).
What are the key properties of 2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 300.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 43823034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).