[1-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-3-[4-[3-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-(ethylcarbamoyloxy)propyl]piperazin-1-yl]propan-2-yl] N-ethylcarbamate

C60H114N6O10 — CID 121241634

IUPAC[1-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-3-[4-[3-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-(ethylcarbamoyloxy)propyl]piperazin-1-yl]propan-2-yl] N-ethylcarbamate
SMILESCCNC(=O)OC(COC1CCC(C(C)(C)C2CCC(OCC(O)CN(CC)CC)CC2)CC1)CN1CCN(CC(COC2CCC(C(C)(C)C3CCC(OCC(O)CN(CC)CC)CC3)CC2)OC(=O)NCC)CC1
InChIInChI=1S/C60H114N6O10/c1-11-61-57(69)75-55(43-73-53-29-21-47(22-30-53)59(7,8)45-17-25-51(26-18-45)71-41-49(67)37-63(13-3)14-4)39-65-33-35-66(36-34-65)40-56(76-58(70)62-12-2)44-74-54-31-23-48(24-32-54)60(9,10)46-19-27-52(28-20-46)72-42-50(68)38-64(15-5)16-6/h45-56,67-68H,11-44H2,1-10H3,(H,61,69)(H,62,70)
InChIKeyYEIONNZQKGUXKL-UHFFFAOYSA-N
MW1079.60 g/mol
LogP8.59
Rot. Bonds32

About [1-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-3-[4-[3-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-(ethylcarbamoyloxy)propyl]piperazin-1-yl]propan-2-yl] N-ethylcarbamate

[1-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-3-[4-[3-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-(ethylcarbamoyloxy)propyl]piperazin-1-yl]propan-2-yl] N-ethylcarbamate (PubChem CID 121241634) has the molecular formula C60H114N6O10 and a molecular weight of 1079.60 g/mol. Its IUPAC name is [1-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-3-[4-[3-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-(ethylcarbamoyloxy)propyl]piperazin-1-yl]propan-2-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[1-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-3-[4-[3-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-(ethylcarbamoyloxy)propyl]piperazin-1-yl]propan-2-yl] N-ethylcarbamate
PubChem CID121241634
Molecular FormulaC60H114N6O10
Molecular Weight1079.60 g/mol
Exact Mass1078.86
IUPAC Name[1-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-3-[4-[3-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-(ethylcarbamoyloxy)propyl]piperazin-1-yl]propan-2-yl] N-ethylcarbamate
SMILESCCNC(=O)OC(COC1CCC(C(C)(C)C2CCC(OCC(O)CN(CC)CC)CC2)CC1)CN1CCN(CC(COC2CCC(C(C)(C)C3CCC(OCC(O)CN(CC)CC)CC3)CC2)OC(=O)NCC)CC1
InChIInChI=1S/C60H114N6O10/c1-11-61-57(69)75-55(43-73-53-29-21-47(22-30-53)59(7,8)45-17-25-51(26-18-45)71-41-49(67)37-63(13-3)14-4)39-65-33-35-66(36-34-65)40-56(76-58(70)62-12-2)44-74-54-31-23-48(24-32-54)60(9,10)46-19-27-52(28-20-46)72-42-50(68)38-64(15-5)16-6/h45-56,67-68H,11-44H2,1-10H3,(H,61,69)(H,62,70)
InChIKeyYEIONNZQKGUXKL-UHFFFAOYSA-N
XLogP8.59
TPSA167.00 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds32
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001079.60
LogP ≤ 58.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze [1-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-3-[4-[3-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-(ethylcarbamoyloxy)propyl]piperazin-1-yl]propan-2-yl] N-ethylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-3-[4-[3-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-(ethylcarbamoyloxy)propyl]piperazin-1-yl]propan-2-yl] N-ethylcarbamate?
The IUPAC name of [1-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-3-[4-[3-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-(ethylcarbamoyloxy)propyl]piperazin-1-yl]propan-2-yl] N-ethylcarbamate (CID 121241634) is [1-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-3-[4-[3-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-(ethylcarbamoyloxy)propyl]piperazin-1-yl]propan-2-yl] N-ethylcarbamate.
What is the SMILES notation for [1-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-3-[4-[3-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-(ethylcarbamoyloxy)propyl]piperazin-1-yl]propan-2-yl] N-ethylcarbamate?
The canonical SMILES for [1-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-3-[4-[3-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-(ethylcarbamoyloxy)propyl]piperazin-1-yl]propan-2-yl] N-ethylcarbamate is CCNC(=O)OC(COC1CCC(C(C)(C)C2CCC(OCC(O)CN(CC)CC)CC2)CC1)CN1CCN(CC(COC2CCC(C(C)(C)C3CCC(OCC(O)CN(CC)CC)CC3)CC2)OC(=O)NCC)CC1.
What is the InChIKey of [1-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-3-[4-[3-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-(ethylcarbamoyloxy)propyl]piperazin-1-yl]propan-2-yl] N-ethylcarbamate?
The InChIKey is YEIONNZQKGUXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H114N6O10/c1-11-61-57(69)75-55(43-73-53-29-21-47(22-30-53)59(7,8)45-17-25-51(26-18-45)71-41-49(67)37-63(13-3)14-4)39-65-33-35-66(36-34-65)40-56(76-58(70)62-12-2)44-74-54-31-23-48(24-32-54)60(9,10)46-19-27-52(28-20-46)72-42-50(68)38-64(15-5)16-6/h45-56,67-68H,11-44H2,1-10H3,(H,61,69)(H,62,70).
What are the key properties of [1-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-3-[4-[3-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-(ethylcarbamoyloxy)propyl]piperazin-1-yl]propan-2-yl] N-ethylcarbamate?
[1-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-3-[4-[3-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-(ethylcarbamoyloxy)propyl]piperazin-1-yl]propan-2-yl] N-ethylcarbamate has a molecular weight of 1079.60 g/mol, XLogP of 8.59, 32 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-3-[4-[3-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-(ethylcarbamoyloxy)propyl]piperazin-1-yl]propan-2-yl] N-ethylcarbamate is sourced from PubChem (CID 121241634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).