N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ium-4-ylpropanamide

C15H21N2O4+ — CID 5094869

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ium-4-ylpropanamide
SMILESO=C(CC[NH+]1CCOCC1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O4/c18-15(3-4-17-5-7-19-8-6-17)16-12-1-2-13-14(11-12)21-10-9-20-13/h1-2,11H,3-10H2,(H,16,18)/p+1
InChIKeySERFSSPWGSDOIQ-UHFFFAOYSA-O
MW293.34 g/mol
LogP-0.30
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ium-4-ylpropanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ium-4-ylpropanamide (PubChem CID 5094869) has the molecular formula C15H21N2O4+ and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ium-4-ylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ium-4-ylpropanamide
PubChem CID5094869
Molecular FormulaC15H21N2O4+
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ium-4-ylpropanamide
SMILESO=C(CC[NH+]1CCOCC1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O4/c18-15(3-4-17-5-7-19-8-6-17)16-12-1-2-13-14(11-12)21-10-9-20-13/h1-2,11H,3-10H2,(H,16,18)/p+1
InChIKeySERFSSPWGSDOIQ-UHFFFAOYSA-O
XLogP-0.30
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 ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazine-1,4-diium-1-yl)propanamide
CID 5081244
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide
CID 3421987
N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide
CID 100923504
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-sulfanylidenebutanamide
CID 82122796
ethyl 4-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperazin-4-ium-1-carboxylate
CID 5059096
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide
CID 60702830
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
N-(1,3-benzodioxol-5-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
CID 6934884
N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
CID 771593
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;hydrochloride
CID 120558603
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)propanamide
CID 71192997

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ium-4-ylpropanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ium-4-ylpropanamide (CID 5094869) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ium-4-ylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ium-4-ylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ium-4-ylpropanamide is O=C(CC[NH+]1CCOCC1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ium-4-ylpropanamide?
The InChIKey is SERFSSPWGSDOIQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N2O4/c18-15(3-4-17-5-7-19-8-6-17)16-12-1-2-13-14(11-12)21-10-9-20-13/h1-2,11H,3-10H2,(H,16,18)/p+1.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ium-4-ylpropanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ium-4-ylpropanamide has a molecular weight of 293.34 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 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-morpholin-4-ium-4-ylpropanamide is sourced from PubChem (CID 5094869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).