N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide

C17H17NO4 — CID 3135701

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC1COc2ccccc2O1
InChIInChI=1S/C17H17NO4/c19-17(12-20-13-6-2-1-3-7-13)18-10-14-11-21-15-8-4-5-9-16(15)22-14/h1-9,14H,10-12H2,(H,18,19)
InChIKeyBUJDQDNFURGKEA-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.02
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide (PubChem CID 3135701) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide
PubChem CID3135701
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC1COc2ccccc2O1
InChIInChI=1S/C17H17NO4/c19-17(12-20-13-6-2-1-3-7-13)18-10-14-11-21-15-8-4-5-9-16(15)22-14/h1-9,14H,10-12H2,(H,18,19)
InChIKeyBUJDQDNFURGKEA-UHFFFAOYSA-N
XLogP2.02
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide (CID 3135701) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide is O=C(COc1ccccc1)NCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide?
The InChIKey is BUJDQDNFURGKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c19-17(12-20-13-6-2-1-3-7-13)18-10-14-11-21-15-8-4-5-9-16(15)22-14/h1-9,14H,10-12H2,(H,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide has a molecular weight of 299.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide is sourced from PubChem (CID 3135701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).