2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone

C70H143N5O — CID 129293464

IUPAC2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)CCN1CCN(C(=O)CN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1
InChIInChI=1S/C70H143N5O/c1-6-11-16-21-26-31-36-41-46-51-56-71(57-52-47-42-37-32-27-22-17-12-7-2)61-62-73-65-67-75(68-66-73)70(76)69-74(60-55-50-45-40-35-30-25-20-15-10-5)64-63-72(58-53-48-43-38-33-28-23-18-13-8-3)59-54-49-44-39-34-29-24-19-14-9-4/h6-69H2,1-5H3
InChIKeyCKYHXQVFYSCLRY-UHFFFAOYSA-N
MW1070.95 g/mol
LogP20.64
Rot. Bonds63

About 2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone

2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone (PubChem CID 129293464) has the molecular formula C70H143N5O and a molecular weight of 1070.95 g/mol. Its IUPAC name is 2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone
PubChem CID129293464
Molecular FormulaC70H143N5O
Molecular Weight1070.95 g/mol
Exact Mass1070.13
IUPAC Name2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)CCN1CCN(C(=O)CN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1
InChIInChI=1S/C70H143N5O/c1-6-11-16-21-26-31-36-41-46-51-56-71(57-52-47-42-37-32-27-22-17-12-7-2)61-62-73-65-67-75(68-66-73)70(76)69-74(60-55-50-45-40-35-30-25-20-15-10-5)64-63-72(58-53-48-43-38-33-28-23-18-13-8-3)59-54-49-44-39-34-29-24-19-14-9-4/h6-69H2,1-5H3
InChIKeyCKYHXQVFYSCLRY-UHFFFAOYSA-N
XLogP20.64
TPSA33.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds63
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001070.95
LogP ≤ 520.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

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
4-[2-(didodecylamino)acetyl]piperazine-1-carboxylic acid
CID 129286600
2-[di(nonyl)amino]-1-[4-[2-[2-(dodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone
CID 142499529
methyl 8-[2-[decyl(nonyl)amino]ethyl-[2-[4-[2-[di(nonyl)amino]acetyl]piperazin-1-yl]-2-oxoethyl]amino]octanoate
CID 146540801
1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]ethanone
CID 170756932
formic acid;2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]-1-piperazin-1-ylethanone
CID 168924589
2-[10-cyclopropyldodecyl(dodecyl)amino]-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone
CID 145405386
4-[2-[4-[2-[2-[bis[4-(2-hexyldecanoyloxy)butyl]amino]ethyl-[4-(2-hexyldecanoyloxy)butyl]amino]ethyl]piperazin-1-yl]ethyl-[4-(2-hexyldecanoyloxy)butyl]amino]butyl 2-hexyldecanoate
CID 176836294
N-[2-[4-[2-[2-(azacycloundec-1-yl)ethyl-hexylamino]ethyl]piperazin-1-yl]ethyl]-N-undecyldodecan-1-amine
CID 170754923
1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-(nonylamino)decan-1-one
CID 176622154
N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine
CID 129293430

Frequently Asked Questions

What is the IUPAC name of 2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone (CID 129293464) is 2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone is CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN1CCN(C(=O)CN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.
What is the InChIKey of 2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone?
The InChIKey is CKYHXQVFYSCLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H143N5O/c1-6-11-16-21-26-31-36-41-46-51-56-71(57-52-47-42-37-32-27-22-17-12-7-2)61-62-73-65-67-75(68-66-73)70(76)69-74(60-55-50-45-40-35-30-25-20-15-10-5)64-63-72(58-53-48-43-38-33-28-23-18-13-8-3)59-54-49-44-39-34-29-24-19-14-9-4/h6-69H2,1-5H3.
What are the key properties of 2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone?
2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone has a molecular weight of 1070.95 g/mol, XLogP of 20.64, 63 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 129293464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).