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

C17H17NO5 — CID 868039

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO5/c1-20-13-4-2-3-5-14(13)23-11-17(19)18-12-6-7-15-16(10-12)22-9-8-21-15/h2-7,10H,8-9,11H2,1H3,(H,18,19)
InChIKeyPYXDQUKGJHOVLR-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.48
Rot. Bonds5

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide (PubChem CID 868039) has the molecular formula C17H17NO5 and a molecular weight of 315.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide
PubChem CID868039
Molecular FormulaC17H17NO5
Molecular Weight315.32 g/mol
Exact Mass315.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO5/c1-20-13-4-2-3-5-14(13)23-11-17(19)18-12-6-7-15-16(10-12)22-9-8-21-15/h2-7,10H,8-9,11H2,1H3,(H,18,19)
InChIKeyPYXDQUKGJHOVLR-UHFFFAOYSA-N
XLogP2.48
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide (CID 868039) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide?
The InChIKey is PYXDQUKGJHOVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-20-13-4-2-3-5-14(13)23-11-17(19)18-12-6-7-15-16(10-12)22-9-8-21-15/h2-7,10H,8-9,11H2,1H3,(H,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide has a molecular weight of 315.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 868039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).