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

C18H19NO4 — CID 2173748

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C18H19NO4/c1-2-9-21-15-6-3-13(4-7-15)18(20)19-14-5-8-16-17(12-14)23-11-10-22-16/h3-8,12H,2,9-11H2,1H3,(H,19,20)
InChIKeyXEFPGHXQVYQHPC-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.50
Rot. Bonds5

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide (PubChem CID 2173748) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
PubChem CID2173748
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C18H19NO4/c1-2-9-21-15-6-3-13(4-7-15)18(20)19-14-5-8-16-17(12-14)23-11-10-22-16/h3-8,12H,2,9-11H2,1H3,(H,19,20)
InChIKeyXEFPGHXQVYQHPC-UHFFFAOYSA-N
XLogP3.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.50
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)-4-propoxybenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide (CID 2173748) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide?
The InChIKey is XEFPGHXQVYQHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-2-9-21-15-6-3-13(4-7-15)18(20)19-14-5-8-16-17(12-14)23-11-10-22-16/h3-8,12H,2,9-11H2,1H3,(H,19,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide has a molecular weight of 313.35 g/mol, XLogP of 3.50, 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-6-yl)-4-propoxybenzamide is sourced from PubChem (CID 2173748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).