2-[10-cyclopropyldodecyl(dodecyl)amino]-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone

C70H139N5O2 — CID 145405386

IUPAC2-[10-cyclopropyldodecyl(dodecyl)amino]-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCCCCC)CCCCCCCCCC(CC)C2CC2)CC1
InChIInChI=1S/C70H139N5O2/c1-6-11-15-19-23-26-29-35-40-46-54-71(55-47-41-36-30-27-24-20-16-12-7-2)59-60-73(58-50-42-34-22-18-14-9-4)66-70(77)75-63-61-74(62-64-75)69(76)65-72(56-48-43-37-31-28-25-21-17-13-8-3)57-49-44-38-32-33-39-45-51-67(10-5)68-52-53-68/h67-68H,6-66H2,1-5H3
InChIKeyCFRZTSLDFAXEKY-UHFFFAOYSA-N
MW1082.91 g/mol
LogP19.63
Rot. Bonds60

About 2-[10-cyclopropyldodecyl(dodecyl)amino]-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone

2-[10-cyclopropyldodecyl(dodecyl)amino]-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone (PubChem CID 145405386) has the molecular formula C70H139N5O2 and a molecular weight of 1082.91 g/mol. Its IUPAC name is 2-[10-cyclopropyldodecyl(dodecyl)amino]-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[10-cyclopropyldodecyl(dodecyl)amino]-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone
PubChem CID145405386
Molecular FormulaC70H139N5O2
Molecular Weight1082.91 g/mol
Exact Mass1082.09
IUPAC Name2-[10-cyclopropyldodecyl(dodecyl)amino]-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCCCCC)CCCCCCCCCC(CC)C2CC2)CC1
InChIInChI=1S/C70H139N5O2/c1-6-11-15-19-23-26-29-35-40-46-54-71(55-47-41-36-30-27-24-20-16-12-7-2)59-60-73(58-50-42-34-22-18-14-9-4)66-70(77)75-63-61-74(62-64-75)69(76)65-72(56-48-43-37-31-28-25-21-17-13-8-3)57-49-44-38-32-33-39-45-51-67(10-5)68-52-53-68/h67-68H,6-66H2,1-5H3
InChIKeyCFRZTSLDFAXEKY-UHFFFAOYSA-N
XLogP19.63
TPSA50.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds60
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001082.91
LogP ≤ 519.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[10-cyclopropyldodecyl(dodecyl)amino]-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]ethanone
CID 170756932
2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone
CID 129293464
2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethanone
CID 137387941
2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]ethyl]piperazin-1-yl]ethanone
CID 129286382
1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-(nonylamino)decan-1-one
CID 176622154
4-[2-(didodecylamino)acetyl]piperazine-1-carboxylic acid
CID 129286600
methyl 8-[2-[decyl(nonyl)amino]ethyl-[2-[4-[2-[di(nonyl)amino]acetyl]piperazin-1-yl]-2-oxoethyl]amino]octanoate
CID 146540801
[1-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]pyrrolidin-3-yl] 2-[di(nonyl)amino]acetate
CID 176836457
2-[2-[decyl(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone
CID 162463057
ethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone
CID 176968729
2-[di(nonyl)amino]-1-[4-[2-[2-(dodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone
CID 142499529
formic acid;2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]-1-piperazin-1-ylethanone
CID 168924589

Frequently Asked Questions

What is the IUPAC name of 2-[10-cyclopropyldodecyl(dodecyl)amino]-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[10-cyclopropyldodecyl(dodecyl)amino]-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone (CID 145405386) is 2-[10-cyclopropyldodecyl(dodecyl)amino]-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[10-cyclopropyldodecyl(dodecyl)amino]-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[10-cyclopropyldodecyl(dodecyl)amino]-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone is CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCCCCC)CCCCCCCCCC(CC)C2CC2)CC1.
What is the InChIKey of 2-[10-cyclopropyldodecyl(dodecyl)amino]-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone?
The InChIKey is CFRZTSLDFAXEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H139N5O2/c1-6-11-15-19-23-26-29-35-40-46-54-71(55-47-41-36-30-27-24-20-16-12-7-2)59-60-73(58-50-42-34-22-18-14-9-4)66-70(77)75-63-61-74(62-64-75)69(76)65-72(56-48-43-37-31-28-25-21-17-13-8-3)57-49-44-38-32-33-39-45-51-67(10-5)68-52-53-68/h67-68H,6-66H2,1-5H3.
What are the key properties of 2-[10-cyclopropyldodecyl(dodecyl)amino]-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone?
2-[10-cyclopropyldodecyl(dodecyl)amino]-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone has a molecular weight of 1082.91 g/mol, XLogP of 19.63, 60 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-cyclopropyldodecyl(dodecyl)amino]-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 145405386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).