methyl 4-(4-methoxyphenyl)-2-(methylaminomethyl)-1,3-dioxane-2-carboxylate

C15H21NO5 — CID 164667311

IUPACmethyl 4-(4-methoxyphenyl)-2-(methylaminomethyl)-1,3-dioxane-2-carboxylate
SMILESCNCC1(C(=O)OC)OCCC(c2ccc(OC)cc2)O1
InChIInChI=1S/C15H21NO5/c1-16-10-15(14(17)19-3)20-9-8-13(21-15)11-4-6-12(18-2)7-5-11/h4-7,13,16H,8-10H2,1-3H3
InChIKeyMAUDOPCMKNGDMM-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.26
Rot. Bonds5

About methyl 4-(4-methoxyphenyl)-2-(methylaminomethyl)-1,3-dioxane-2-carboxylate

methyl 4-(4-methoxyphenyl)-2-(methylaminomethyl)-1,3-dioxane-2-carboxylate (PubChem CID 164667311) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 4-(4-methoxyphenyl)-2-(methylaminomethyl)-1,3-dioxane-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methoxyphenyl)-2-(methylaminomethyl)-1,3-dioxane-2-carboxylate
PubChem CID164667311
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Namemethyl 4-(4-methoxyphenyl)-2-(methylaminomethyl)-1,3-dioxane-2-carboxylate
SMILESCNCC1(C(=O)OC)OCCC(c2ccc(OC)cc2)O1
InChIInChI=1S/C15H21NO5/c1-16-10-15(14(17)19-3)20-9-8-13(21-15)11-4-6-12(18-2)7-5-11/h4-7,13,16H,8-10H2,1-3H3
InChIKeyMAUDOPCMKNGDMM-UHFFFAOYSA-N
XLogP1.26
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 58794648
dimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate
CID 122399786
dimethyl 3-(4-methoxyphenyl)-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate
CID 101474665
methyl 2-(4-methoxyphenyl)-1-[(E)-2-methylbut-2-enoyl]cyclopropane-1-carboxylate
CID 102264444
2-[(2,2-dimethyloxan-4-yl)methylamino]-1-(4-methoxyphenyl)ethanone
CID 13438549
(6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921451
methyl (4S)-6-[(4-methoxyphenoxy)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7457559
tetramethyl (3R,4S,5S)-5-(4-methoxyphenyl)oxolane-2,2,3,4-tetracarboxylate
CID 6554364
N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42825230
methyl (1R,2R,3R)-1-acetamido-2-(4-methoxyphenyl)-3-methylcyclobutane-1-carboxylate
CID 166446835
1-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethanone
CID 11031862
2,2-diethyl-6-(4-methoxyphenyl)morpholine
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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxyphenyl)-2-(methylaminomethyl)-1,3-dioxane-2-carboxylate?
The IUPAC name of methyl 4-(4-methoxyphenyl)-2-(methylaminomethyl)-1,3-dioxane-2-carboxylate (CID 164667311) is methyl 4-(4-methoxyphenyl)-2-(methylaminomethyl)-1,3-dioxane-2-carboxylate.
What is the SMILES notation for methyl 4-(4-methoxyphenyl)-2-(methylaminomethyl)-1,3-dioxane-2-carboxylate?
The canonical SMILES for methyl 4-(4-methoxyphenyl)-2-(methylaminomethyl)-1,3-dioxane-2-carboxylate is CNCC1(C(=O)OC)OCCC(c2ccc(OC)cc2)O1.
What is the InChIKey of methyl 4-(4-methoxyphenyl)-2-(methylaminomethyl)-1,3-dioxane-2-carboxylate?
The InChIKey is MAUDOPCMKNGDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-16-10-15(14(17)19-3)20-9-8-13(21-15)11-4-6-12(18-2)7-5-11/h4-7,13,16H,8-10H2,1-3H3.
What are the key properties of methyl 4-(4-methoxyphenyl)-2-(methylaminomethyl)-1,3-dioxane-2-carboxylate?
methyl 4-(4-methoxyphenyl)-2-(methylaminomethyl)-1,3-dioxane-2-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxyphenyl)-2-(methylaminomethyl)-1,3-dioxane-2-carboxylate is sourced from PubChem (CID 164667311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).