N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ium-4-ylacetamide

C15H21N2O4+ — CID 4051777

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)NCC1COc2ccccc2O1
InChIInChI=1S/C15H20N2O4/c18-15(10-17-5-7-19-8-6-17)16-9-12-11-20-13-3-1-2-4-14(13)21-12/h1-4,12H,5-11H2,(H,16,18)/p+1
InChIKeyNVLDOSSLYVAJCV-UHFFFAOYSA-O
MW293.34 g/mol
LogP-1.14
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ium-4-ylacetamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ium-4-ylacetamide (PubChem CID 4051777) 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-3-ylmethyl)-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ium-4-ylacetamide
PubChem CID4051777
Molecular FormulaC15H21N2O4+
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)NCC1COc2ccccc2O1
InChIInChI=1S/C15H20N2O4/c18-15(10-17-5-7-19-8-6-17)16-9-12-11-20-13-3-1-2-4-14(13)21-12/h1-4,12H,5-11H2,(H,16,18)/p+1
InChIKeyNVLDOSSLYVAJCV-UHFFFAOYSA-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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-piperidin-1-ium-1-ylacetamide
CID 4051778
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8595426
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9127292
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 1251106
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propanamide;hydrochloride
CID 119266203
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(methylamino)acetamide
CID 60686684
N-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 41088932
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-nitroacetamide
CID 108814523
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-morpholin-4-yl-2-oxoacetamide
CID 2237644
2-(4-bromophenyl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 8872759
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60683085

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ium-4-ylacetamide (CID 4051777) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ium-4-ylacetamide is O=C(C[NH+]1CCOCC1)NCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is NVLDOSSLYVAJCV-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N2O4/c18-15(10-17-5-7-19-8-6-17)16-9-12-11-20-13-3-1-2-4-14(13)21-12/h1-4,12H,5-11H2,(H,16,18)/p+1.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ium-4-ylacetamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ium-4-ylacetamide 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 N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 4051777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).