dimethyl 5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzene-1,3-dicarboxylate

C18H24N2O6 — CID 8898990

IUPACdimethyl 5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc(C(=O)OC)c1
InChIInChI=1S/C18H24N2O6/c1-11-8-20(9-12(2)26-11)10-16(21)19-15-6-13(17(22)24-3)5-14(7-15)18(23)25-4/h5-7,11-12H,8-10H2,1-4H3,(H,19,21)/t11-,12-/m0/s1
InChIKeyMEYAHSCSQBQIAU-RYUDHWBXSA-N
MW364.40 g/mol
LogP1.31
Rot. Bonds5

About dimethyl 5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzene-1,3-dicarboxylate (PubChem CID 8898990) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is dimethyl 5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzene-1,3-dicarboxylate
PubChem CID8898990
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Namedimethyl 5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc(C(=O)OC)c1
InChIInChI=1S/C18H24N2O6/c1-11-8-20(9-12(2)26-11)10-16(21)19-15-6-13(17(22)24-3)5-14(7-15)18(23)25-4/h5-7,11-12H,8-10H2,1-4H3,(H,19,21)/t11-,12-/m0/s1
InChIKeyMEYAHSCSQBQIAU-RYUDHWBXSA-N
XLogP1.31
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze dimethyl 5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzene-1,3-dicarboxylate with MolForge

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Related Compounds

dimethyl 5-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 8904739
methyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate
CID 8898920
dimethyl 5-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 18292355
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 2378377
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-ethylphenyl)acetamide
CID 8899824
2-(2,6-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 6465799
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)acetamide
CID 703778
2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate
CID 92858710
3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide
CID 47010706
4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 51170483
N-(3,5-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102936061
N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899342

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzene-1,3-dicarboxylate (CID 8898990) is dimethyl 5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is MEYAHSCSQBQIAU-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-11-8-20(9-12(2)26-11)10-16(21)19-15-6-13(17(22)24-3)5-14(7-15)18(23)25-4/h5-7,11-12H,8-10H2,1-4H3,(H,19,21)/t11-,12-/m0/s1.
What are the key properties of dimethyl 5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 364.40 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 8898990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).