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

C17H23N2O5+ — CID 8899390

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1)OCO2
InChIInChI=1S/C17H22N2O5/c1-10-6-19(7-11(2)24-10)8-17(21)18-14-5-16-15(22-9-23-16)4-13(14)12(3)20/h4-5,10-11H,6-9H2,1-3H3,(H,18,21)/p+1/t10-,11-/m0/s1
InChIKeyVCCQVZCXPYCCJO-QWRGUYRKSA-O
MW335.38 g/mol
LogP0.25
Rot. Bonds4

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

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide (PubChem CID 8899390) has the molecular formula C17H23N2O5+ and a molecular weight of 335.38 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
PubChem CID8899390
Molecular FormulaC17H23N2O5+
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1)OCO2
InChIInChI=1S/C17H22N2O5/c1-10-6-19(7-11(2)24-10)8-17(21)18-14-5-16-15(22-9-23-16)4-13(14)12(3)20/h4-5,10-11H,6-9H2,1-3H3,(H,18,21)/p+1/t10-,11-/m0/s1
InChIKeyVCCQVZCXPYCCJO-QWRGUYRKSA-O
XLogP0.25
TPSA78.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 18084854
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9257321
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8725717
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 18084866
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2238896
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-methylcyclopropane-1-carboxamide
CID 47099404
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide
CID 18076767
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 1439070
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methylpiperidin-1-yl)acetamide
CID 655232
N-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2474971
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide
CID 31483361
2-[4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 30739132

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide (CID 8899390) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide is CC(=O)c1cc2c(cc1NC(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The InChIKey is VCCQVZCXPYCCJO-QWRGUYRKSA-O. The full InChI is InChI=1S/C17H22N2O5/c1-10-6-19(7-11(2)24-10)8-17(21)18-14-5-16-15(22-9-23-16)4-13(14)12(3)20/h4-5,10-11H,6-9H2,1-3H3,(H,18,21)/p+1/t10-,11-/m0/s1.
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide has a molecular weight of 335.38 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide is sourced from PubChem (CID 8899390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).