dimethyl (E)-2-[2-(methoxymethoxy)anilino]but-2-enedioate

C14H17NO6 — CID 168570585

IUPACdimethyl (E)-2-[2-(methoxymethoxy)anilino]but-2-enedioate
SMILESCOCOc1ccccc1N/C(=C/C(=O)OC)C(=O)OC
InChIInChI=1S/C14H17NO6/c1-18-9-21-12-7-5-4-6-10(12)15-11(14(17)20-3)8-13(16)19-2/h4-8,15H,9H2,1-3H3/b11-8+
InChIKeySIOQIUVXDRGWQK-DHZHZOJOSA-N
MW295.29 g/mol
LogP1.31
Rot. Bonds7

About dimethyl (E)-2-[2-(methoxymethoxy)anilino]but-2-enedioate

dimethyl (E)-2-[2-(methoxymethoxy)anilino]but-2-enedioate (PubChem CID 168570585) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is dimethyl (E)-2-[2-(methoxymethoxy)anilino]but-2-enedioate.

Molecular Properties

Compound Namedimethyl (E)-2-[2-(methoxymethoxy)anilino]but-2-enedioate
PubChem CID168570585
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Namedimethyl (E)-2-[2-(methoxymethoxy)anilino]but-2-enedioate
SMILESCOCOc1ccccc1N/C(=C/C(=O)OC)C(=O)OC
InChIInChI=1S/C14H17NO6/c1-18-9-21-12-7-5-4-6-10(12)15-11(14(17)20-3)8-13(16)19-2/h4-8,15H,9H2,1-3H3/b11-8+
InChIKeySIOQIUVXDRGWQK-DHZHZOJOSA-N
XLogP1.31
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl (E)-2-[3-(methoxymethoxy)anilino]but-2-enedioate
CID 168569235
dimethyl (E)-2-[2-[(2-methoxyphenyl)carbamoyl]anilino]but-2-enedioate
CID 168570158
dimethyl (Z)-2-(2-iodoanilino)but-2-enedioate
CID 14867928
dimethyl (E)-2-[2-(2-pyridin-2-ylethyl)anilino]but-2-enedioate
CID 168566370
dimethyl (E)-2-(2-methoxycarbonylanilino)but-2-enedioate
CID 168566533
dimethyl (E)-2-[2-[(1-ethylpyrazol-4-yl)methoxy]anilino]but-2-enedioate
CID 168568363
dimethyl (E)-2-(2-sulfamoylanilino)but-2-enedioate
CID 13001549
dimethyl (E)-2-[2-(1,1,2,2,2-pentafluoroethyl)anilino]but-2-enedioate
CID 168567536
dimethyl (E)-2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]but-2-enedioate
CID 168566431
dimethyl (E)-2-[2-(pyrrolidin-1-ylmethyl)anilino]but-2-enedioate
CID 168566366
methyl 4-methoxy-3-(2-methoxyanilino)but-2-enoate
CID 67832148
dimethyl (E)-2-(2-chloro-3-fluoroanilino)but-2-enedioate
CID 168569472

Frequently Asked Questions

What is the IUPAC name of dimethyl (E)-2-[2-(methoxymethoxy)anilino]but-2-enedioate?
The IUPAC name of dimethyl (E)-2-[2-(methoxymethoxy)anilino]but-2-enedioate (CID 168570585) is dimethyl (E)-2-[2-(methoxymethoxy)anilino]but-2-enedioate.
What is the SMILES notation for dimethyl (E)-2-[2-(methoxymethoxy)anilino]but-2-enedioate?
The canonical SMILES for dimethyl (E)-2-[2-(methoxymethoxy)anilino]but-2-enedioate is COCOc1ccccc1N/C(=C/C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl (E)-2-[2-(methoxymethoxy)anilino]but-2-enedioate?
The InChIKey is SIOQIUVXDRGWQK-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H17NO6/c1-18-9-21-12-7-5-4-6-10(12)15-11(14(17)20-3)8-13(16)19-2/h4-8,15H,9H2,1-3H3/b11-8+.
What are the key properties of dimethyl (E)-2-[2-(methoxymethoxy)anilino]but-2-enedioate?
dimethyl (E)-2-[2-(methoxymethoxy)anilino]but-2-enedioate has a molecular weight of 295.29 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (E)-2-[2-(methoxymethoxy)anilino]but-2-enedioate is sourced from PubChem (CID 168570585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).