(3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C15H21N2O4+ — CID 7242232

IUPAC(3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCC[NH+]1CCOCC1)[C@H]1COc2ccccc2O1
InChIInChI=1S/C15H20N2O4/c18-15(16-5-6-17-7-9-19-10-8-17)14-11-20-12-3-1-2-4-13(12)21-14/h1-4,14H,5-11H2,(H,16,18)/p+1/t14-/m1/s1
InChIKeyHVBJSLGYFGKQCI-CQSZACIVSA-O
MW293.34 g/mol
LogP-1.14
Rot. Bonds4

About (3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 7242232) has the molecular formula C15H21N2O4+ and a molecular weight of 293.34 g/mol. Its IUPAC name is (3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID7242232
Molecular FormulaC15H21N2O4+
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name(3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCC[NH+]1CCOCC1)[C@H]1COc2ccccc2O1
InChIInChI=1S/C15H20N2O4/c18-15(16-5-6-17-7-9-19-10-8-17)14-11-20-12-3-1-2-4-13(12)21-14/h1-4,14H,5-11H2,(H,16,18)/p+1/t14-/m1/s1
InChIKeyHVBJSLGYFGKQCI-CQSZACIVSA-O
XLogP-1.14
TPSA61.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide with MolForge

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Related Compounds

2-morpholin-4-ium-4-ylethyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 6945563
N-(3-aminopropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 119407559
N-[2-(cyclopropylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 62664381
N-(6-hydroxyhexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 108808787
N-pent-4-ynyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 113245084
(3R)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9049885
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ium-4-ylacetamide
CID 4051777
N-[2-(2-bromoethoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 113274368
[(2R)-1-morpholin-4-ium-4-ylpropan-2-yl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 6949346
(3S)-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7000193
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51181705
(3S)-N-[3-(methanesulfonamido)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94005333

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 7242232) is (3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(NCC[NH+]1CCOCC1)[C@H]1COc2ccccc2O1.
What is the InChIKey of (3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is HVBJSLGYFGKQCI-CQSZACIVSA-O. The full InChI is InChI=1S/C15H20N2O4/c18-15(16-5-6-17-7-9-19-10-8-17)14-11-20-12-3-1-2-4-13(12)21-14/h1-4,14H,5-11H2,(H,16,18)/p+1/t14-/m1/s1.
What are the key properties of (3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 293.34 g/mol, XLogP of -1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 7242232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).