2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone

C317H639N25O10 — CID 158630040

IUPAC2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1
InChIInChI=1S/C67H135N5O2.2C64H129N5O2.2C61H123N5O2/c1-6-11-16-21-26-30-34-39-43-48-53-68(54-49-44-40-35-31-27-22-17-12-7-2)58-59-70(57-52-45-38-25-20-15-10-5)65-67(74)72-62-60-71(61-63-72)66(73)64-69(55-50-46-41-36-32-28-23-18-13-8-3)56-51-47-42-37-33-29-24-19-14-9-4;1-6-11-16-21-26-29-32-37-40-45-50-65(51-46-41-38-33-30-27-22-17-12-7-2)55-56-67(54-49-44-39-34-31-28-23-18-13-8-3)62-64(71)69-59-57-68(58-60-69)63(70)61-66(52-47-42-35-24-19-14-9-4)53-48-43-36-25-20-15-10-5;1-6-11-16-21-26-29-32-37-42-47-52-66(53-48-43-38-33-30-27-22-17-12-7-2)61-63(70)68-57-59-69(60-58-68)64(71)62-67(54-49-44-39-34-31-28-23-18-13-8-3)56-55-65(50-45-40-35-24-19-14-9-4)51-46-41-36-25-20-15-10-5;1-6-11-16-21-26-28-30-35-37-42-47-62(48-43-38-36-31-29-27-22-17-12-7-2)52-53-64(51-46-41-34-25-20-15-10-5)59-61(68)66-56-54-65(55-57-66)60(67)58-63(49-44-39-32-23-18-13-8-3)50-45-40-33-24-19-14-9-4;1-6-11-16-21-26-28-30-35-40-44-49-63(50-45-41-36-31-29-27-22-17-12-7-2)58-60(67)65-54-56-66(57-55-65)61(68)59-64(51-46-39-34-25-20-15-10-5)53-52-62(47-42-37-32-23-18-13-8-3)48-43-38-33-24-19-14-9-4/h6-65H2,1-5H3;2*6-62H2,1-5H3;2*6-59H2,1-5H3
InChIKeyHZBQFUDVGULMFL-UHFFFAOYSA-N
MW4961.76 g/mol
LogP87.97
Rot. Bonds277

About 2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone

2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone (PubChem CID 158630040) has the molecular formula C317H639N25O10 and a molecular weight of 4961.76 g/mol. Its IUPAC name is 2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone.

Molecular Properties

Compound Name2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone
PubChem CID158630040
Molecular FormulaC317H639N25O10
Molecular Weight4961.76 g/mol
Exact Mass4958.03
IUPAC Name2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1
InChIInChI=1S/C67H135N5O2.2C64H129N5O2.2C61H123N5O2/c1-6-11-16-21-26-30-34-39-43-48-53-68(54-49-44-40-35-31-27-22-17-12-7-2)58-59-70(57-52-45-38-25-20-15-10-5)65-67(74)72-62-60-71(61-63-72)66(73)64-69(55-50-46-41-36-32-28-23-18-13-8-3)56-51-47-42-37-33-29-24-19-14-9-4;1-6-11-16-21-26-29-32-37-40-45-50-65(51-46-41-38-33-30-27-22-17-12-7-2)55-56-67(54-49-44-39-34-31-28-23-18-13-8-3)62-64(71)69-59-57-68(58-60-69)63(70)61-66(52-47-42-35-24-19-14-9-4)53-48-43-36-25-20-15-10-5;1-6-11-16-21-26-29-32-37-42-47-52-66(53-48-43-38-33-30-27-22-17-12-7-2)61-63(70)68-57-59-69(60-58-68)64(71)62-67(54-49-44-39-34-31-28-23-18-13-8-3)56-55-65(50-45-40-35-24-19-14-9-4)51-46-41-36-25-20-15-10-5;1-6-11-16-21-26-28-30-35-37-42-47-62(48-43-38-36-31-29-27-22-17-12-7-2)52-53-64(51-46-41-34-25-20-15-10-5)59-61(68)66-56-54-65(55-57-66)60(67)58-63(49-44-39-32-23-18-13-8-3)50-45-40-33-24-19-14-9-4;1-6-11-16-21-26-28-30-35-40-44-49-63(50-45-41-36-31-29-27-22-17-12-7-2)58-60(67)65-54-56-66(57-55-65)61(68)59-64(51-46-39-34-25-20-15-10-5)53-52-62(47-42-37-32-23-18-13-8-3)48-43-38-33-24-19-14-9-4/h6-65H2,1-5H3;2*6-62H2,1-5H3;2*6-59H2,1-5H3
InChIKeyHZBQFUDVGULMFL-UHFFFAOYSA-N
XLogP87.97
TPSA251.70 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds277
Heavy Atoms352
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004961.76
LogP ≤ 587.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone?
The IUPAC name of 2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone (CID 158630040) is 2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone.
What is the SMILES notation for 2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone?
The canonical SMILES for 2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone is CCCCCCCCCCCCN(CCCCCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1.
What is the InChIKey of 2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone?
The InChIKey is HZBQFUDVGULMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H135N5O2.2C64H129N5O2.2C61H123N5O2/c1-6-11-16-21-26-30-34-39-43-48-53-68(54-49-44-40-35-31-27-22-17-12-7-2)58-59-70(57-52-45-38-25-20-15-10-5)65-67(74)72-62-60-71(61-63-72)66(73)64-69(55-50-46-41-36-32-28-23-18-13-8-3)56-51-47-42-37-33-29-24-19-14-9-4;1-6-11-16-21-26-29-32-37-40-45-50-65(51-46-41-38-33-30-27-22-17-12-7-2)55-56-67(54-49-44-39-34-31-28-23-18-13-8-3)62-64(71)69-59-57-68(58-60-69)63(70)61-66(52-47-42-35-24-19-14-9-4)53-48-43-36-25-20-15-10-5;1-6-11-16-21-26-29-32-37-42-47-52-66(53-48-43-38-33-30-27-22-17-12-7-2)61-63(70)68-57-59-69(60-58-68)64(71)62-67(54-49-44-39-34-31-28-23-18-13-8-3)56-55-65(50-45-40-35-24-19-14-9-4)51-46-41-36-25-20-15-10-5;1-6-11-16-21-26-28-30-35-37-42-47-62(48-43-38-36-31-29-27-22-17-12-7-2)52-53-64(51-46-41-34-25-20-15-10-5)59-61(68)66-56-54-65(55-57-66)60(67)58-63(49-44-39-32-23-18-13-8-3)50-45-40-33-24-19-14-9-4;1-6-11-16-21-26-28-30-35-40-44-49-63(50-45-41-36-31-29-27-22-17-12-7-2)58-60(67)65-54-56-66(57-55-65)61(68)59-64(51-46-39-34-25-20-15-10-5)53-52-62(47-42-37-32-23-18-13-8-3)48-43-38-33-24-19-14-9-4/h6-65H2,1-5H3;2*6-62H2,1-5H3;2*6-59H2,1-5H3.
What are the key properties of 2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone?
2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone has a molecular weight of 4961.76 g/mol, XLogP of 87.97, 277 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone is sourced from PubChem (CID 158630040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).