N-[4-[1-[4-[N-(2,4-dimethoxyphenyl)-4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]phenyl]-2,4-dimethoxyaniline

C70H90N2O8 — CID 155152340

IUPACN-[4-[1-[4-[N-(2,4-dimethoxyphenyl)-4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]phenyl]-2,4-dimethoxyaniline
SMILESCCC1(COCCCCCCc2ccc(N(c3ccc(C4(c5ccc(N(c6ccc(CCCCCCOCC7(CC)COC7)cc6)c6ccc(OC)cc6OC)cc5)CCCCC4)cc3)c3ccc(OC)cc3OC)cc2)COC1
InChIInChI=1S/C70H90N2O8/c1-7-68(50-79-51-68)48-77-44-18-11-9-14-20-54-22-30-58(31-23-54)71(64-40-38-62(73-3)46-66(64)75-5)60-34-26-56(27-35-60)70(42-16-13-17-43-70)57-28-36-61(37-29-57)72(65-41-39-63(74-4)47-67(65)76-6)59-32-24-55(25-33-59)21-15-10-12-19-45-78-49-69(8-2)52-80-53-69/h22-41,46-47H,7-21,42-45,48-53H2,1-6H3
InChIKeyDQBJQAVHYHDPOZ-UHFFFAOYSA-N
MW1087.50 g/mol
LogP17.00
Rot. Bonds32

About N-[4-[1-[4-[N-(2,4-dimethoxyphenyl)-4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]phenyl]-2,4-dimethoxyaniline

N-[4-[1-[4-[N-(2,4-dimethoxyphenyl)-4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]phenyl]-2,4-dimethoxyaniline (PubChem CID 155152340) has the molecular formula C70H90N2O8 and a molecular weight of 1087.50 g/mol. Its IUPAC name is N-[4-[1-[4-[N-(2,4-dimethoxyphenyl)-4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]phenyl]-2,4-dimethoxyaniline.

Molecular Properties

Compound NameN-[4-[1-[4-[N-(2,4-dimethoxyphenyl)-4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]phenyl]-2,4-dimethoxyaniline
PubChem CID155152340
Molecular FormulaC70H90N2O8
Molecular Weight1087.50 g/mol
Exact Mass1086.67
IUPAC NameN-[4-[1-[4-[N-(2,4-dimethoxyphenyl)-4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]phenyl]-2,4-dimethoxyaniline
SMILESCCC1(COCCCCCCc2ccc(N(c3ccc(C4(c5ccc(N(c6ccc(CCCCCCOCC7(CC)COC7)cc6)c6ccc(OC)cc6OC)cc5)CCCCC4)cc3)c3ccc(OC)cc3OC)cc2)COC1
InChIInChI=1S/C70H90N2O8/c1-7-68(50-79-51-68)48-77-44-18-11-9-14-20-54-22-30-58(31-23-54)71(64-40-38-62(73-3)46-66(64)75-5)60-34-26-56(27-35-60)70(42-16-13-17-43-70)57-28-36-61(37-29-57)72(65-41-39-63(74-4)47-67(65)76-6)59-32-24-55(25-33-59)21-15-10-12-19-45-78-49-69(8-2)52-80-53-69/h22-41,46-47H,7-21,42-45,48-53H2,1-6H3
InChIKeyDQBJQAVHYHDPOZ-UHFFFAOYSA-N
XLogP17.00
TPSA80.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds32
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001087.50
LogP ≤ 517.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[4-[1-[4-[N-(2,4-dimethoxyphenyl)-4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]phenyl]-2,4-dimethoxyaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[4-[N-(2,4-dimethoxyphenyl)-4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]phenyl]-2,4-dimethoxyaniline?
The IUPAC name of N-[4-[1-[4-[N-(2,4-dimethoxyphenyl)-4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]phenyl]-2,4-dimethoxyaniline (CID 155152340) is N-[4-[1-[4-[N-(2,4-dimethoxyphenyl)-4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]phenyl]-2,4-dimethoxyaniline.
What is the SMILES notation for N-[4-[1-[4-[N-(2,4-dimethoxyphenyl)-4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]phenyl]-2,4-dimethoxyaniline?
The canonical SMILES for N-[4-[1-[4-[N-(2,4-dimethoxyphenyl)-4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]phenyl]-2,4-dimethoxyaniline is CCC1(COCCCCCCc2ccc(N(c3ccc(C4(c5ccc(N(c6ccc(CCCCCCOCC7(CC)COC7)cc6)c6ccc(OC)cc6OC)cc5)CCCCC4)cc3)c3ccc(OC)cc3OC)cc2)COC1.
What is the InChIKey of N-[4-[1-[4-[N-(2,4-dimethoxyphenyl)-4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]phenyl]-2,4-dimethoxyaniline?
The InChIKey is DQBJQAVHYHDPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H90N2O8/c1-7-68(50-79-51-68)48-77-44-18-11-9-14-20-54-22-30-58(31-23-54)71(64-40-38-62(73-3)46-66(64)75-5)60-34-26-56(27-35-60)70(42-16-13-17-43-70)57-28-36-61(37-29-57)72(65-41-39-63(74-4)47-67(65)76-6)59-32-24-55(25-33-59)21-15-10-12-19-45-78-49-69(8-2)52-80-53-69/h22-41,46-47H,7-21,42-45,48-53H2,1-6H3.
What are the key properties of N-[4-[1-[4-[N-(2,4-dimethoxyphenyl)-4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]phenyl]-2,4-dimethoxyaniline?
N-[4-[1-[4-[N-(2,4-dimethoxyphenyl)-4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]phenyl]-2,4-dimethoxyaniline has a molecular weight of 1087.50 g/mol, XLogP of 17.00, 32 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[4-[N-(2,4-dimethoxyphenyl)-4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]phenyl]-2,4-dimethoxyaniline is sourced from PubChem (CID 155152340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).