methyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoate;oxalic acid

C16H23NO8 — CID 2936166

IUPACmethyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoate;oxalic acid
SMILESCOC(=O)c1ccccc1OCCOCCN(C)C.O=C(O)C(=O)O
InChIInChI=1S/C14H21NO4.C2H2O4/c1-15(2)8-9-18-10-11-19-13-7-5-4-6-12(13)14(16)17-3;3-1(4)2(5)6/h4-7H,8-11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyZMIFNFBBBGBJFV-UHFFFAOYSA-N
MW357.36 g/mol
LogP0.59
Rot. Bonds8

About methyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoate;oxalic acid

methyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoate;oxalic acid (PubChem CID 2936166) has the molecular formula C16H23NO8 and a molecular weight of 357.36 g/mol. Its IUPAC name is methyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoate;oxalic acid.

Molecular Properties

Compound Namemethyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoate;oxalic acid
PubChem CID2936166
Molecular FormulaC16H23NO8
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC Namemethyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoate;oxalic acid
SMILESCOC(=O)c1ccccc1OCCOCCN(C)C.O=C(O)C(=O)O
InChIInChI=1S/C14H21NO4.C2H2O4/c1-15(2)8-9-18-10-11-19-13-7-5-4-6-12(13)14(16)17-3;3-1(4)2(5)6/h4-7H,8-11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyZMIFNFBBBGBJFV-UHFFFAOYSA-N
XLogP0.59
TPSA122.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
methyl 2-hydroxy-3-[2-[2-[2-(2-hydroxy-3-methoxycarbonylphenoxy)ethoxy]ethoxy]ethoxy]benzoate
CID 100926239
methyl 2-(2-aminoethoxy)benzoate
CID 14273287
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate
CID 11109738
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213
methyl 2-(6-chlorohexoxy)benzoate
CID 55053094
methyl 2-(4-bromobutoxy)benzoate
CID 11066070
5-chloro-2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoic acid
CID 67057095
methyl 5-[3,5-bis[4-[2-(dimethylamino)ethoxy]-3-methoxycarbonylphenyl]phenyl]-2-[2-(dimethylamino)ethoxy]benzoate
CID 91970397

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoate;oxalic acid?
The IUPAC name of methyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoate;oxalic acid (CID 2936166) is methyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoate;oxalic acid.
What is the SMILES notation for methyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoate;oxalic acid?
The canonical SMILES for methyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoate;oxalic acid is COC(=O)c1ccccc1OCCOCCN(C)C.O=C(O)C(=O)O.
What is the InChIKey of methyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoate;oxalic acid?
The InChIKey is ZMIFNFBBBGBJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4.C2H2O4/c1-15(2)8-9-18-10-11-19-13-7-5-4-6-12(13)14(16)17-3;3-1(4)2(5)6/h4-7H,8-11H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of methyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoate;oxalic acid?
methyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoate;oxalic acid has a molecular weight of 357.36 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoate;oxalic acid is sourced from PubChem (CID 2936166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).