3-[10-[10-[10-[bis[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]decoxy]decoxy]decyl-[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis(2-diethoxyphosphorylethyl)amino]ethyl]propanamide

C98H208N10O30P8 — CID 132938509

IUPAC3-[10-[10-[10-[bis[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]decoxy]decoxy]decyl-[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis(2-diethoxyphosphorylethyl)amino]ethyl]propanamide
SMILESCCOP(=O)(CCN(CCNC(=O)CCN(CCCCCCCCCCOCCCCCCCCCCOCCCCCCCCCCN(CCC(=O)NCCN(CCP(=O)(OCC)OCC)CCP(=O)(OCC)OCC)CCC(=O)NCCN(CCP(=O)(OCC)OCC)CCP(=O)(OCC)OCC)CCC(=O)NCCN(CCP(=O)(OCC)OCC)CCP(=O)(OCC)OCC)CCP(=O)(OCC)OCC)OCC
InChIInChI=1S/C98H208N10O30P8/c1-17-123-139(113,124-18-2)87-75-105(76-88-140(114,125-19-3)126-20-4)71-61-99-95(109)57-67-103(68-58-96(110)100-62-72-106(77-89-141(115,127-21-5)128-22-6)78-90-142(116,129-23-7)130-24-8)65-51-45-39-33-35-41-47-53-83-121-85-55-49-43-37-38-44-50-56-86-122-84-54-48-42-36-34-40-46-52-66-104(69-59-97(111)101-63-73-107(79-91-143(117,131-25-9)132-26-10)80-92-144(118,133-27-11)134-28-12)70-60-98(112)102-64-74-108(81-93-145(119,135-29-13)136-30-14)82-94-146(120,137-31-15)138-32-16/h17-94H2,1-16H3,(H,99,109)(H,100,110)(H,101,111)(H,102,112)
InChIKeyTWKPGTOQPOMICO-UHFFFAOYSA-N
MW2254.57 g/mol
LogP20.35
Rot. Bonds113

About 3-[10-[10-[10-[bis[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]decoxy]decoxy]decyl-[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis(2-diethoxyphosphorylethyl)amino]ethyl]propanamide

3-[10-[10-[10-[bis[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]decoxy]decoxy]decyl-[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis(2-diethoxyphosphorylethyl)amino]ethyl]propanamide (PubChem CID 132938509) has the molecular formula C98H208N10O30P8 and a molecular weight of 2254.57 g/mol. Its IUPAC name is 3-[10-[10-[10-[bis[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]decoxy]decoxy]decyl-[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis(2-diethoxyphosphorylethyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name3-[10-[10-[10-[bis[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]decoxy]decoxy]decyl-[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis(2-diethoxyphosphorylethyl)amino]ethyl]propanamide
PubChem CID132938509
Molecular FormulaC98H208N10O30P8
Molecular Weight2254.57 g/mol
Exact Mass2253.30
IUPAC Name3-[10-[10-[10-[bis[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]decoxy]decoxy]decyl-[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis(2-diethoxyphosphorylethyl)amino]ethyl]propanamide
SMILESCCOP(=O)(CCN(CCNC(=O)CCN(CCCCCCCCCCOCCCCCCCCCCOCCCCCCCCCCN(CCC(=O)NCCN(CCP(=O)(OCC)OCC)CCP(=O)(OCC)OCC)CCC(=O)NCCN(CCP(=O)(OCC)OCC)CCP(=O)(OCC)OCC)CCC(=O)NCCN(CCP(=O)(OCC)OCC)CCP(=O)(OCC)OCC)CCP(=O)(OCC)OCC)OCC
InChIInChI=1S/C98H208N10O30P8/c1-17-123-139(113,124-18-2)87-75-105(76-88-140(114,125-19-3)126-20-4)71-61-99-95(109)57-67-103(68-58-96(110)100-62-72-106(77-89-141(115,127-21-5)128-22-6)78-90-142(116,129-23-7)130-24-8)65-51-45-39-33-35-41-47-53-83-121-85-55-49-43-37-38-44-50-56-86-122-84-54-48-42-36-34-40-46-52-66-104(69-59-97(111)101-63-73-107(79-91-143(117,131-25-9)132-26-10)80-92-144(118,133-27-11)134-28-12)70-60-98(112)102-64-74-108(81-93-145(119,135-29-13)136-30-14)82-94-146(120,137-31-15)138-32-16/h17-94H2,1-16H3,(H,99,109)(H,100,110)(H,101,111)(H,102,112)
InChIKeyTWKPGTOQPOMICO-UHFFFAOYSA-N
XLogP20.35
TPSA438.54 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds113
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002254.57
LogP ≤ 520.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 3-[10-[10-[10-[bis[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]decoxy]decoxy]decyl-[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis(2-diethoxyphosphorylethyl)amino]ethyl]propanamide with MolForge

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Related Compounds

N-(2-diethoxyphosphorylethyl)heptanamide
CID 143289197
N-(2-diethoxyphosphorylethyl)pentanamide
CID 150373666
3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide
CID 101430189
3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105662
N-[2-(dibutylamino)ethyl]dodecanamide
CID 23372327
3-(dibutylamino)-N-dodecylpropanamide
CID 123574973
3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 167166577
disodium;3-[2-(2-carboxyethoxy)ethyl-[2-(octanoylamino)ethyl]amino]propanoic acid;hydride
CID 174999190
3-[4-hydroxybutyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105445
N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
CID 58105400
3-[bis[3-[bis[6-(diethylamino)-3-oxohexyl]amino]propyl]amino]-N-[2-(diethylamino)ethyl]propanamide
CID 165064161

Frequently Asked Questions

What is the IUPAC name of 3-[10-[10-[10-[bis[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]decoxy]decoxy]decyl-[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis(2-diethoxyphosphorylethyl)amino]ethyl]propanamide?
The IUPAC name of 3-[10-[10-[10-[bis[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]decoxy]decoxy]decyl-[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis(2-diethoxyphosphorylethyl)amino]ethyl]propanamide (CID 132938509) is 3-[10-[10-[10-[bis[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]decoxy]decoxy]decyl-[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis(2-diethoxyphosphorylethyl)amino]ethyl]propanamide.
What is the SMILES notation for 3-[10-[10-[10-[bis[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]decoxy]decoxy]decyl-[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis(2-diethoxyphosphorylethyl)amino]ethyl]propanamide?
The canonical SMILES for 3-[10-[10-[10-[bis[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]decoxy]decoxy]decyl-[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis(2-diethoxyphosphorylethyl)amino]ethyl]propanamide is CCOP(=O)(CCN(CCNC(=O)CCN(CCCCCCCCCCOCCCCCCCCCCOCCCCCCCCCCN(CCC(=O)NCCN(CCP(=O)(OCC)OCC)CCP(=O)(OCC)OCC)CCC(=O)NCCN(CCP(=O)(OCC)OCC)CCP(=O)(OCC)OCC)CCC(=O)NCCN(CCP(=O)(OCC)OCC)CCP(=O)(OCC)OCC)CCP(=O)(OCC)OCC)OCC.
What is the InChIKey of 3-[10-[10-[10-[bis[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]decoxy]decoxy]decyl-[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis(2-diethoxyphosphorylethyl)amino]ethyl]propanamide?
The InChIKey is TWKPGTOQPOMICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H208N10O30P8/c1-17-123-139(113,124-18-2)87-75-105(76-88-140(114,125-19-3)126-20-4)71-61-99-95(109)57-67-103(68-58-96(110)100-62-72-106(77-89-141(115,127-21-5)128-22-6)78-90-142(116,129-23-7)130-24-8)65-51-45-39-33-35-41-47-53-83-121-85-55-49-43-37-38-44-50-56-86-122-84-54-48-42-36-34-40-46-52-66-104(69-59-97(111)101-63-73-107(79-91-143(117,131-25-9)132-26-10)80-92-144(118,133-27-11)134-28-12)70-60-98(112)102-64-74-108(81-93-145(119,135-29-13)136-30-14)82-94-146(120,137-31-15)138-32-16/h17-94H2,1-16H3,(H,99,109)(H,100,110)(H,101,111)(H,102,112).
What are the key properties of 3-[10-[10-[10-[bis[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]decoxy]decoxy]decyl-[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis(2-diethoxyphosphorylethyl)amino]ethyl]propanamide?
3-[10-[10-[10-[bis[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]decoxy]decoxy]decyl-[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis(2-diethoxyphosphorylethyl)amino]ethyl]propanamide has a molecular weight of 2254.57 g/mol, XLogP of 20.35, 113 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-[10-[10-[bis[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]decoxy]decoxy]decyl-[3-[2-[bis(2-diethoxyphosphorylethyl)amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis(2-diethoxyphosphorylethyl)amino]ethyl]propanamide is sourced from PubChem (CID 132938509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).