tert-butyl 2-[2-[2-[2-[2-[2-[[5-(4-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-14-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate

C36H48N2O8 — CID 155584832

IUPACtert-butyl 2-[2-[2-[2-[2-[2-[[5-(4-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-14-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)CCCCc2ccncc2-3)cn1
InChIInChI=1S/C36H48N2O8/c1-36(2,3)46-35(39)27-44-21-20-42-17-16-40-14-15-41-18-19-43-22-23-45-34-11-9-31(25-38-34)29-8-10-32-30(24-29)7-5-4-6-28-12-13-37-26-33(28)32/h8-13,24-26H,4-7,14-23,27H2,1-3H3
InChIKeyLYOPQUOYVAOEPM-UHFFFAOYSA-N
MW636.79 g/mol
LogP5.49
Rot. Bonds19

About tert-butyl 2-[2-[2-[2-[2-[2-[[5-(4-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-14-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate

tert-butyl 2-[2-[2-[2-[2-[2-[[5-(4-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-14-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate (PubChem CID 155584832) has the molecular formula C36H48N2O8 and a molecular weight of 636.79 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[2-[2-[2-[[5-(4-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-14-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-[2-[2-[2-[[5-(4-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-14-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
PubChem CID155584832
Molecular FormulaC36H48N2O8
Molecular Weight636.79 g/mol
Exact Mass636.34
IUPAC Nametert-butyl 2-[2-[2-[2-[2-[2-[[5-(4-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-14-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)CCCCc2ccncc2-3)cn1
InChIInChI=1S/C36H48N2O8/c1-36(2,3)46-35(39)27-44-21-20-42-17-16-40-14-15-41-18-19-43-22-23-45-34-11-9-31(25-38-34)29-8-10-32-30(24-29)7-5-4-6-28-12-13-37-26-33(28)32/h8-13,24-26H,4-7,14-23,27H2,1-3H3
InChIKeyLYOPQUOYVAOEPM-UHFFFAOYSA-N
XLogP5.49
TPSA107.46 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.79
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[2-[2-[2-[2-[2-[[5-(4-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-14-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate 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

3-[6-[[3-(2,6-Dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-2-methoxypropanoic acid
CID 90644298
(3R)-3-[2-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]-4-pyridinyl]pentanoic acid
CID 90655861
(3R)-3-[2-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]-4-pyridinyl]butanoic acid
CID 90655862
N'-{[2-(2,3,5-trimethylphenoxy)acetyl]oxy}pyridine-4-carboximidamide
CID 9776910
N'-{[2-(2,3,5-trimethylphenoxy)acetyl]oxy}pyridine-3-carboximidamide
CID 9665726
1,4-Bis((pyridin-2-yloxy)methyl)benzene
CID 52891697
US10023519, Example 5
CID 130365619
Methyl 2-[(3-naphthalen-2-yl-4-pyridinyl)oxy]acetate
CID 164619070
[[4-[2,5-Dimethyl-4-[6-(3-methylbut-2-enoxy)-3-pyridinyl]phenyl]-3-fluorophenyl]-(3-methylbut-2-enyl)carbamoyl]oxymethyl 2-hydroxyacetate
CID 9938100
Tert-butyl 2-[4-[2-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]ethyl]phenoxy]-2-methylpropanoate
CID 24754150
2-[[5-[(E)-C-benzyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-pyridinyl]oxy]acetic acid
CID 57413940
Benzyl 2-(5-Fluoro-2-pyridyloxy)-2-methylpropionate
CID 57438725

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-[2-[2-[2-[[5-(4-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-14-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
The IUPAC name of tert-butyl 2-[2-[2-[2-[2-[2-[[5-(4-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-14-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate (CID 155584832) is tert-butyl 2-[2-[2-[2-[2-[2-[[5-(4-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-14-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-[2-[2-[2-[2-[[5-(4-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-14-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-[2-[2-[2-[2-[[5-(4-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-14-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate is CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)CCCCc2ccncc2-3)cn1.
What is the InChIKey of tert-butyl 2-[2-[2-[2-[2-[2-[[5-(4-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-14-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
The InChIKey is LYOPQUOYVAOEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N2O8/c1-36(2,3)46-35(39)27-44-21-20-42-17-16-40-14-15-41-18-19-43-22-23-45-34-11-9-31(25-38-34)29-8-10-32-30(24-29)7-5-4-6-28-12-13-37-26-33(28)32/h8-13,24-26H,4-7,14-23,27H2,1-3H3.
What are the key properties of tert-butyl 2-[2-[2-[2-[2-[2-[[5-(4-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-14-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
tert-butyl 2-[2-[2-[2-[2-[2-[[5-(4-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-14-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate has a molecular weight of 636.79 g/mol, XLogP of 5.49, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-[2-[2-[2-[[5-(4-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-14-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 155584832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).