2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(2-oxopentadecylamino)ethyl]amino]-N-dodecylacetamide

C77H154N8O5 — CID 161096659

IUPAC2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(2-oxopentadecylamino)ethyl]amino]-N-dodecylacetamide
SMILESCCCCCCCCCCCCCC(=O)CNCCN(CCN(CCN(CC(=O)NCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C77H154N8O5/c1-6-11-16-21-26-31-36-37-42-47-52-57-73(86)68-78-62-63-83(69-74(87)79-58-53-48-43-38-32-27-22-17-12-7-2)64-65-84(70-75(88)80-59-54-49-44-39-33-28-23-18-13-8-3)66-67-85(71-76(89)81-60-55-50-45-40-34-29-24-19-14-9-4)72-77(90)82-61-56-51-46-41-35-30-25-20-15-10-5/h78H,6-72H2,1-5H3,(H,79,87)(H,80,88)(H,81,89)(H,82,90)
InChIKeyOSIJFIMRVIPLAX-UHFFFAOYSA-N
MW1272.13 g/mol
LogP17.90
Rot. Bonds75

About 2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(2-oxopentadecylamino)ethyl]amino]-N-dodecylacetamide

2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(2-oxopentadecylamino)ethyl]amino]-N-dodecylacetamide (PubChem CID 161096659) has the molecular formula C77H154N8O5 and a molecular weight of 1272.13 g/mol. Its IUPAC name is 2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(2-oxopentadecylamino)ethyl]amino]-N-dodecylacetamide.

Molecular Properties

Compound Name2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(2-oxopentadecylamino)ethyl]amino]-N-dodecylacetamide
PubChem CID161096659
Molecular FormulaC77H154N8O5
Molecular Weight1272.13 g/mol
Exact Mass1271.20
IUPAC Name2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(2-oxopentadecylamino)ethyl]amino]-N-dodecylacetamide
SMILESCCCCCCCCCCCCCC(=O)CNCCN(CCN(CCN(CC(=O)NCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C77H154N8O5/c1-6-11-16-21-26-31-36-37-42-47-52-57-73(86)68-78-62-63-83(69-74(87)79-58-53-48-43-38-32-27-22-17-12-7-2)64-65-84(70-75(88)80-59-54-49-44-39-33-28-23-18-13-8-3)66-67-85(71-76(89)81-60-55-50-45-40-34-29-24-19-14-9-4)72-77(90)82-61-56-51-46-41-35-30-25-20-15-10-5/h78H,6-72H2,1-5H3,(H,79,87)(H,80,88)(H,81,89)(H,82,90)
InChIKeyOSIJFIMRVIPLAX-UHFFFAOYSA-N
XLogP17.90
TPSA155.22 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds75
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001272.13
LogP ≤ 517.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(2-oxopentadecylamino)ethyl]amino]-N-dodecylacetamide with MolForge

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Related Compounds

2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethyl-propylamino]-N-dodecylacetamide
CID 138548504
2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide
CID 118180371
2-[2-[carboxymethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-[carboxymethyl(2-oxopentadecyl)amino]ethyl]amino]acetic acid
CID 58283801
2-[2-[carboxylatomethyl-[2-(octadecylamino)-2-oxoethyl]amino]ethyl-[2-[carboxylatomethyl(2-oxohenicosyl)amino]ethyl]amino]acetate;gadolinium(3+)
CID 161254591
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(tridecylamino)ethyl]amino]ethyl]amino]acetic acid
CID 87241288
3-[2-[2-[2-[bis(3-oxohexadecyl)amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethylamino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 159136104
3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-(3-oxohexadecyl)amino]ethylamino]ethyl-(3-oxohexadecyl)amino]-N-dodecylpropanamide
CID 158384217
N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide
CID 137363672
6-[[2-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl-[2-[[2-(methylamino)-2-oxoethyl]-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]hexanoic acid
CID 147724727
N-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanamide
CID 170086567
1-(propylamino)tetradecan-2-one
CID 116562895
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-(3-oxohexadecyl)amino]ethyl-(6-oxononadecyl)amino]-N-dodecylpropanamide
CID 58498189

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(2-oxopentadecylamino)ethyl]amino]-N-dodecylacetamide?
The IUPAC name of 2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(2-oxopentadecylamino)ethyl]amino]-N-dodecylacetamide (CID 161096659) is 2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(2-oxopentadecylamino)ethyl]amino]-N-dodecylacetamide.
What is the SMILES notation for 2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(2-oxopentadecylamino)ethyl]amino]-N-dodecylacetamide?
The canonical SMILES for 2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(2-oxopentadecylamino)ethyl]amino]-N-dodecylacetamide is CCCCCCCCCCCCCC(=O)CNCCN(CCN(CCN(CC(=O)NCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC.
What is the InChIKey of 2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(2-oxopentadecylamino)ethyl]amino]-N-dodecylacetamide?
The InChIKey is OSIJFIMRVIPLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H154N8O5/c1-6-11-16-21-26-31-36-37-42-47-52-57-73(86)68-78-62-63-83(69-74(87)79-58-53-48-43-38-32-27-22-17-12-7-2)64-65-84(70-75(88)80-59-54-49-44-39-33-28-23-18-13-8-3)66-67-85(71-76(89)81-60-55-50-45-40-34-29-24-19-14-9-4)72-77(90)82-61-56-51-46-41-35-30-25-20-15-10-5/h78H,6-72H2,1-5H3,(H,79,87)(H,80,88)(H,81,89)(H,82,90).
What are the key properties of 2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(2-oxopentadecylamino)ethyl]amino]-N-dodecylacetamide?
2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(2-oxopentadecylamino)ethyl]amino]-N-dodecylacetamide has a molecular weight of 1272.13 g/mol, XLogP of 17.90, 75 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(2-oxopentadecylamino)ethyl]amino]-N-dodecylacetamide is sourced from PubChem (CID 161096659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).