ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[2-[2-[4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenoxy]ethoxy]ethoxy]ethyl]amino]acetate

C76H79NO7 — CID 100932495

IUPACethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[2-[2-[4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenoxy]ethoxy]ethoxy]ethyl]amino]acetate
SMILESCCOC(=O)CN(CCOCCOCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9cccc(C)c9)cc8C)c(C)c7)cc6C)c(C)c5)cc4C)c(C)c3)cc2C)cc1)CC(=O)OCC
InChIInChI=1S/C76H79NO7/c1-11-82-75(78)48-77(49-76(79)83-12-2)34-35-80-36-37-81-38-39-84-67-25-16-58(17-26-67)68-27-18-61(41-51(68)4)62-20-29-71(53(6)43-62)72-31-22-65(45-55(72)8)66-24-33-74(57(10)47-66)73-32-23-64(46-56(73)9)63-21-30-70(54(7)44-63)69-28-19-60(42-52(69)5)59-15-13-14-50(3)40-59/h13-33,40-47H,11-12,34-39,48-49H2,1-10H3
InChIKeyLOUIJDDSKJNFTJ-UHFFFAOYSA-N
MW1118.47 g/mol
LogP17.33
Rot. Bonds24

About ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[2-[2-[4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenoxy]ethoxy]ethoxy]ethyl]amino]acetate

ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[2-[2-[4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenoxy]ethoxy]ethoxy]ethyl]amino]acetate (PubChem CID 100932495) has the molecular formula C76H79NO7 and a molecular weight of 1118.47 g/mol. Its IUPAC name is ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[2-[2-[4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenoxy]ethoxy]ethoxy]ethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[2-[2-[4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenoxy]ethoxy]ethoxy]ethyl]amino]acetate
PubChem CID100932495
Molecular FormulaC76H79NO7
Molecular Weight1118.47 g/mol
Exact Mass1117.59
IUPAC Nameethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[2-[2-[4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenoxy]ethoxy]ethoxy]ethyl]amino]acetate
SMILESCCOC(=O)CN(CCOCCOCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9cccc(C)c9)cc8C)c(C)c7)cc6C)c(C)c5)cc4C)c(C)c3)cc2C)cc1)CC(=O)OCC
InChIInChI=1S/C76H79NO7/c1-11-82-75(78)48-77(49-76(79)83-12-2)34-35-80-36-37-81-38-39-84-67-25-16-58(17-26-67)68-27-18-61(41-51(68)4)62-20-29-71(53(6)43-62)72-31-22-65(45-55(72)8)66-24-33-74(57(10)47-66)73-32-23-64(46-56(73)9)63-21-30-70(54(7)44-63)69-28-19-60(42-52(69)5)59-15-13-14-50(3)40-59/h13-33,40-47H,11-12,34-39,48-49H2,1-10H3
InChIKeyLOUIJDDSKJNFTJ-UHFFFAOYSA-N
XLogP17.33
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001118.47
LogP ≤ 517.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[2-[2-[4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenoxy]ethoxy]ethoxy]ethyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[2-[2-[4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenoxy]ethoxy]ethoxy]ethyl]amino]acetate?
The IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[2-[2-[4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenoxy]ethoxy]ethoxy]ethyl]amino]acetate (CID 100932495) is ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[2-[2-[4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenoxy]ethoxy]ethoxy]ethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[2-[2-[4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenoxy]ethoxy]ethoxy]ethyl]amino]acetate?
The canonical SMILES for ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[2-[2-[4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenoxy]ethoxy]ethoxy]ethyl]amino]acetate is CCOC(=O)CN(CCOCCOCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9cccc(C)c9)cc8C)c(C)c7)cc6C)c(C)c5)cc4C)c(C)c3)cc2C)cc1)CC(=O)OCC.
What is the InChIKey of ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[2-[2-[4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenoxy]ethoxy]ethoxy]ethyl]amino]acetate?
The InChIKey is LOUIJDDSKJNFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H79NO7/c1-11-82-75(78)48-77(49-76(79)83-12-2)34-35-80-36-37-81-38-39-84-67-25-16-58(17-26-67)68-27-18-61(41-51(68)4)62-20-29-71(53(6)43-62)72-31-22-65(45-55(72)8)66-24-33-74(57(10)47-66)73-32-23-64(46-56(73)9)63-21-30-70(54(7)44-63)69-28-19-60(42-52(69)5)59-15-13-14-50(3)40-59/h13-33,40-47H,11-12,34-39,48-49H2,1-10H3.
What are the key properties of ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[2-[2-[4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenoxy]ethoxy]ethoxy]ethyl]amino]acetate?
ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[2-[2-[4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenoxy]ethoxy]ethoxy]ethyl]amino]acetate has a molecular weight of 1118.47 g/mol, XLogP of 17.33, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[2-[2-[4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenoxy]ethoxy]ethoxy]ethyl]amino]acetate is sourced from PubChem (CID 100932495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).