bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate

C23H37NO10 — CID 102205051

IUPACbis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate
SMILESCNc1cc(C(=O)OCCOCCOCCOC)cc(C(=O)OCCOCCOCCOC)c1
InChIInChI=1S/C23H37NO10/c1-24-21-17-19(22(25)33-14-12-31-10-8-29-6-4-27-2)16-20(18-21)23(26)34-15-13-32-11-9-30-7-5-28-3/h16-18,24H,4-15H2,1-3H3
InChIKeyZHCKRKIRALVXKS-UHFFFAOYSA-N
MW487.55 g/mol
LogP1.40
Rot. Bonds21

About bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate

bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate (PubChem CID 102205051) has the molecular formula C23H37NO10 and a molecular weight of 487.55 g/mol. Its IUPAC name is bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namebis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate
PubChem CID102205051
Molecular FormulaC23H37NO10
Molecular Weight487.55 g/mol
Exact Mass487.24
IUPAC Namebis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate
SMILESCNc1cc(C(=O)OCCOCCOCCOC)cc(C(=O)OCCOCCOCCOC)c1
InChIInChI=1S/C23H37NO10/c1-24-21-17-19(22(25)33-14-12-31-10-8-29-6-4-27-2)16-20(18-21)23(26)34-15-13-32-11-9-30-7-5-28-3/h16-18,24H,4-15H2,1-3H3
InChIKeyZHCKRKIRALVXKS-UHFFFAOYSA-N
XLogP1.40
TPSA120.01 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.55
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[4-(methylamino)benzoyl]benzoate
CID 58616778
diethyl 5-(methylamino)benzene-1,3-dicarboxylate
CID 101449112
hexakis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] heptacyclo[49.3.1.16,10.115,19.124,28.133,37.142,46]hexaconta-1(55),6(60),7,9,15(59),16,18,24(58),25,27,33,35,37(57),42,44,46(56),51,53-octadecaen-2,4,11,13,20,22,29,31,38,40,47,49-dodecayne-8,17,26,35,44,53-hexacarboxylate
CID 101145342
2-propoxyethyl 4-(methylamino)benzoate
CID 104698977
2-(2-methoxyethoxy)ethyl 3-chloro-5-methylbenzoate
CID 176947358
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497
2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate
CID 103181345
5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,3-dicarbohydrazide
CID 102419646
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-bromo-5-iodo-4-methylbenzoate
CID 11705792
2-(2-methoxyethoxy)ethyl 3,5-bis(prop-2-ynoxy)benzoate
CID 138976530
2-(2-methoxyethoxy)ethyl 3-sulfanylbenzoate
CID 107019065
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
CID 71553925

Frequently Asked Questions

What is the IUPAC name of bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate?
The IUPAC name of bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate (CID 102205051) is bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate.
What is the SMILES notation for bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate?
The canonical SMILES for bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate is CNc1cc(C(=O)OCCOCCOCCOC)cc(C(=O)OCCOCCOCCOC)c1.
What is the InChIKey of bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate?
The InChIKey is ZHCKRKIRALVXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO10/c1-24-21-17-19(22(25)33-14-12-31-10-8-29-6-4-27-2)16-20(18-21)23(26)34-15-13-32-11-9-30-7-5-28-3/h16-18,24H,4-15H2,1-3H3.
What are the key properties of bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate?
bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate has a molecular weight of 487.55 g/mol, XLogP of 1.40, 21 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate is sourced from PubChem (CID 102205051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).