N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(morpholin-4-ylmethyl)benzamide

C20H22N2O4 — CID 646482

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H22N2O4/c23-20(21-17-5-6-18-19(13-17)26-12-11-25-18)16-3-1-15(2-4-16)14-22-7-9-24-10-8-22/h1-6,13H,7-12,14H2,(H,21,23)
InChIKeyOYXIJWPQSSWQBO-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.54
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(morpholin-4-ylmethyl)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 646482) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(morpholin-4-ylmethyl)benzamide
PubChem CID646482
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H22N2O4/c23-20(21-17-5-6-18-19(13-17)26-12-11-25-18)16-3-1-15(2-4-16)14-22-7-9-24-10-8-22/h1-6,13H,7-12,14H2,(H,21,23)
InChIKeyOYXIJWPQSSWQBO-UHFFFAOYSA-N
XLogP2.54
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.54
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)-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(morpholin-4-ylmethyl)benzamide (CID 646482) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(morpholin-4-ylmethyl)benzamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is OYXIJWPQSSWQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-20(21-17-5-6-18-19(13-17)26-12-11-25-18)16-3-1-15(2-4-16)14-22-7-9-24-10-8-22/h1-6,13H,7-12,14H2,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(morpholin-4-ylmethyl)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.54, 4 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)-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 646482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).