N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxyacetamide

C16H15NO4 — CID 652217

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H15NO4/c18-16(10-19-13-4-2-1-3-5-13)17-9-12-6-7-14-15(8-12)21-11-20-14/h1-8H,9-11H2,(H,17,18)
InChIKeyYOUGRKPDJMAREZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.11
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxyacetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxyacetamide (PubChem CID 652217) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-phenoxyacetamide
PubChem CID652217
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H15NO4/c18-16(10-19-13-4-2-1-3-5-13)17-9-12-6-7-14-15(8-12)21-11-20-14/h1-8H,9-11H2,(H,17,18)
InChIKeyYOUGRKPDJMAREZ-UHFFFAOYSA-N
XLogP2.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxyacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxyacetamide (CID 652217) is N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxyacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxyacetamide is O=C(COc1ccccc1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxyacetamide?
The InChIKey is YOUGRKPDJMAREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-16(10-19-13-4-2-1-3-5-13)17-9-12-6-7-14-15(8-12)21-11-20-14/h1-8H,9-11H2,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxyacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxyacetamide has a molecular weight of 285.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxyacetamide is sourced from PubChem (CID 652217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).