2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-[[4-chloro-6-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate

C39H50ClN3O14 — CID 11994056

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-[[4-chloro-6-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate
SMILESCOCCOCCOCCOCCOC(=O)c1ccccc1NC(=O)c1cc(Cl)cc(C(=O)Nc2ccccc2C(=O)OCCOCCOCCOCCOC)n1
InChIInChI=1S/C39H50ClN3O14/c1-48-11-13-50-15-17-52-19-21-54-23-25-56-38(46)30-7-3-5-9-32(30)42-36(44)34-27-29(40)28-35(41-34)37(45)43-33-10-6-4-8-31(33)39(47)57-26-24-55-22-20-53-18-16-51-14-12-49-2/h3-10,27-28H,11-26H2,1-2H3,(H,42,44)(H,43,45)
InChIKeyJQDMNLNCJNPALH-UHFFFAOYSA-N
MW820.29 g/mol
LogP3.95
Rot. Bonds30

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-[[4-chloro-6-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-[[4-chloro-6-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate (PubChem CID 11994056) has the molecular formula C39H50ClN3O14 and a molecular weight of 820.29 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-[[4-chloro-6-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-[[4-chloro-6-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate
PubChem CID11994056
Molecular FormulaC39H50ClN3O14
Molecular Weight820.29 g/mol
Exact Mass819.30
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-[[4-chloro-6-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate
SMILESCOCCOCCOCCOCCOC(=O)c1ccccc1NC(=O)c1cc(Cl)cc(C(=O)Nc2ccccc2C(=O)OCCOCCOCCOCCOC)n1
InChIInChI=1S/C39H50ClN3O14/c1-48-11-13-50-15-17-52-19-21-54-23-25-56-38(46)30-7-3-5-9-32(30)42-36(44)34-27-29(40)28-35(41-34)37(45)43-33-10-6-4-8-31(33)39(47)57-26-24-55-22-20-53-18-16-51-14-12-49-2/h3-10,27-28H,11-26H2,1-2H3,(H,42,44)(H,43,45)
InChIKeyJQDMNLNCJNPALH-UHFFFAOYSA-N
XLogP3.95
TPSA197.53 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.29
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-[[4-chloro-6-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[[4-chloro-6-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 101154818
ethyl 2-[[6-(2-methoxyethylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109364795
3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate
CID 103403616
ethyl 2-[[6-(3-methoxypropylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109365152
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate
CID 101066319
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 153260877
2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate
CID 104567564
2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate
CID 112689579
ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109184186
butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate
CID 108786656
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
CID 103763170
ethyl 2-[[6-methyl-2-(propylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109319049

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-[[4-chloro-6-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-[[4-chloro-6-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate (CID 11994056) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-[[4-chloro-6-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-[[4-chloro-6-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-[[4-chloro-6-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate is COCCOCCOCCOCCOC(=O)c1ccccc1NC(=O)c1cc(Cl)cc(C(=O)Nc2ccccc2C(=O)OCCOCCOCCOCCOC)n1.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-[[4-chloro-6-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate?
The InChIKey is JQDMNLNCJNPALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H50ClN3O14/c1-48-11-13-50-15-17-52-19-21-54-23-25-56-38(46)30-7-3-5-9-32(30)42-36(44)34-27-29(40)28-35(41-34)37(45)43-33-10-6-4-8-31(33)39(47)57-26-24-55-22-20-53-18-16-51-14-12-49-2/h3-10,27-28H,11-26H2,1-2H3,(H,42,44)(H,43,45).
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-[[4-chloro-6-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-[[4-chloro-6-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate has a molecular weight of 820.29 g/mol, XLogP of 3.95, 30 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-[[4-chloro-6-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 11994056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).