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

C13H16N2O4 — CID 3613789

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)N1CCOCC1
InChIInChI=1S/C13H16N2O4/c16-13(15-3-5-17-6-4-15)14-10-1-2-11-12(9-10)19-8-7-18-11/h1-2,9H,3-8H2,(H,14,16)
InChIKeySOBXSVJYSCXYCW-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.32
Rot. Bonds1

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-4-carboxamide (PubChem CID 3613789) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-4-carboxamide
PubChem CID3613789
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)N1CCOCC1
InChIInChI=1S/C13H16N2O4/c16-13(15-3-5-17-6-4-15)14-10-1-2-11-12(9-10)19-8-7-18-11/h1-2,9H,3-8H2,(H,14,16)
InChIKeySOBXSVJYSCXYCW-UHFFFAOYSA-N
XLogP1.32
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Eltoprazine
CID 65853
Eltoprazine hydrochloride
CID 3025067
1-(4-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25014697
1-(3-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25015710
[4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate
CID 70696645
1-(4-Fluoro-3-(3-morpholinopropoxy)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 25015206
1-(4-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 25015279
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)acetamide
CID 565773
N-(4-methoxyphenyl)morpholine-4-carboxamide
CID 321216
(2,3-Dihydro-1,4-benzodioxin-6-yl)urea
CID 3837306
1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-4-yl]-ethyl}-3-(4-methoxy-phenyl)-urea
CID 10741057
1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-4-yl]-ethyl}-3-(4-hydroxy-phenyl)-urea
CID 10787782

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-4-carboxamide (CID 3613789) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)N1CCOCC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-4-carboxamide?
The InChIKey is SOBXSVJYSCXYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-13(15-3-5-17-6-4-15)14-10-1-2-11-12(9-10)19-8-7-18-11/h1-2,9H,3-8H2,(H,14,16).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-4-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 1.32, 1 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)morpholine-4-carboxamide is sourced from PubChem (CID 3613789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).