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

C17H17NO4 — CID 739217

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H17NO4/c1-2-20-14-5-3-4-12(10-14)17(19)18-13-6-7-15-16(11-13)22-9-8-21-15/h3-7,10-11H,2,8-9H2,1H3,(H,18,19)
InChIKeyYKNRTTIADBCIMJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.11
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide (PubChem CID 739217) 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-6-yl)-3-ethoxybenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
PubChem CID739217
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H17NO4/c1-2-20-14-5-3-4-12(10-14)17(19)18-13-6-7-15-16(11-13)22-9-8-21-15/h3-7,10-11H,2,8-9H2,1H3,(H,18,19)
InChIKeyYKNRTTIADBCIMJ-UHFFFAOYSA-N
XLogP3.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.11
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-6-yl)-3-ethoxybenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide (CID 739217) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide is CCOc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide?
The InChIKey is YKNRTTIADBCIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-2-20-14-5-3-4-12(10-14)17(19)18-13-6-7-15-16(11-13)22-9-8-21-15/h3-7,10-11H,2,8-9H2,1H3,(H,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide has a molecular weight of 299.33 g/mol, XLogP of 3.11, 4 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-6-yl)-3-ethoxybenzamide is sourced from PubChem (CID 739217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).