N-(1,3-benzodioxol-5-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide

C16H23N2O4+ — CID 6934884

IUPACN-(1,3-benzodioxol-5-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
SMILESC[C@@H]1C[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C)O1
InChIInChI=1S/C16H22N2O4/c1-11-8-18(9-12(2)22-11)6-5-16(19)17-13-3-4-14-15(7-13)21-10-20-14/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,17,19)/p+1/t11-,12+
InChIKeyUGBAZHHPSBYSGZ-TXEJJXNPSA-O
MW307.37 g/mol
LogP0.44
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide

N-(1,3-benzodioxol-5-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide (PubChem CID 6934884) has the molecular formula C16H23N2O4+ and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
PubChem CID6934884
Molecular FormulaC16H23N2O4+
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
SMILESC[C@@H]1C[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C)O1
InChIInChI=1S/C16H22N2O4/c1-11-8-18(9-12(2)22-11)6-5-16(19)17-13-3-4-14-15(7-13)21-10-20-14/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,17,19)/p+1/t11-,12+
InChIKeyUGBAZHHPSBYSGZ-TXEJJXNPSA-O
XLogP0.44
TPSA61.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide with MolForge

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2238896
N-(1,3-benzodioxol-5-yl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930384
ethyl 4-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperazin-4-ium-1-carboxylate
CID 5059096
ethyl (3R)-1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidin-1-ium-3-carboxylate
CID 6934883
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazine-1,4-diium-1-yl)propanamide
CID 5081244
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ium-4-ylpropanamide
CID 5094869
N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide
CID 110370646
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide
CID 110370595
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597
N-(1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 803627

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide (CID 6934884) is N-(1,3-benzodioxol-5-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide is C[C@@H]1C[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C)O1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide?
The InChIKey is UGBAZHHPSBYSGZ-TXEJJXNPSA-O. The full InChI is InChI=1S/C16H22N2O4/c1-11-8-18(9-12(2)22-11)6-5-16(19)17-13-3-4-14-15(7-13)21-10-20-14/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,17,19)/p+1/t11-,12+.
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide?
N-(1,3-benzodioxol-5-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide has a molecular weight of 307.37 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide is sourced from PubChem (CID 6934884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).