decyl 3-[2-[3-[2-[[3-[2-[bis(3-decoxy-3-oxopropyl)amino]ethyl-methylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoyl-methylamino]ethyl-(3-decoxy-3-oxopropyl)amino]propanoate

C68H132N6O10 — CID 170086583

IUPACdecyl 3-[2-[3-[2-[[3-[2-[bis(3-decoxy-3-oxopropyl)amino]ethyl-methylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoyl-methylamino]ethyl-(3-decoxy-3-oxopropyl)amino]propanoate
SMILESCCCCCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCCCCC)CCN(C)C(=O)CCN(C)CCN(C)CCC(=O)N(C)CCN(CCC(=O)OCCCCCCCCCC)CCC(=O)OCCCCCCCCCC
InChIInChI=1S/C68H132N6O10/c1-9-13-17-21-25-29-33-37-59-81-65(77)43-49-73(50-44-66(78)82-60-38-34-30-26-22-18-14-10-2)57-55-71(7)63(75)41-47-69(5)53-54-70(6)48-42-64(76)72(8)56-58-74(51-45-67(79)83-61-39-35-31-27-23-19-15-11-3)52-46-68(80)84-62-40-36-32-28-24-20-16-12-4/h9-62H2,1-8H3
InChIKeyQXGAUPIKHRWOFA-UHFFFAOYSA-N
MW1193.84 g/mol
LogP13.45
Rot. Bonds63

About decyl 3-[2-[3-[2-[[3-[2-[bis(3-decoxy-3-oxopropyl)amino]ethyl-methylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoyl-methylamino]ethyl-(3-decoxy-3-oxopropyl)amino]propanoate

decyl 3-[2-[3-[2-[[3-[2-[bis(3-decoxy-3-oxopropyl)amino]ethyl-methylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoyl-methylamino]ethyl-(3-decoxy-3-oxopropyl)amino]propanoate (PubChem CID 170086583) has the molecular formula C68H132N6O10 and a molecular weight of 1193.84 g/mol. Its IUPAC name is decyl 3-[2-[3-[2-[[3-[2-[bis(3-decoxy-3-oxopropyl)amino]ethyl-methylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoyl-methylamino]ethyl-(3-decoxy-3-oxopropyl)amino]propanoate.

Molecular Properties

Compound Namedecyl 3-[2-[3-[2-[[3-[2-[bis(3-decoxy-3-oxopropyl)amino]ethyl-methylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoyl-methylamino]ethyl-(3-decoxy-3-oxopropyl)amino]propanoate
PubChem CID170086583
Molecular FormulaC68H132N6O10
Molecular Weight1193.84 g/mol
Exact Mass1193.00
IUPAC Namedecyl 3-[2-[3-[2-[[3-[2-[bis(3-decoxy-3-oxopropyl)amino]ethyl-methylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoyl-methylamino]ethyl-(3-decoxy-3-oxopropyl)amino]propanoate
SMILESCCCCCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCCCCC)CCN(C)C(=O)CCN(C)CCN(C)CCC(=O)N(C)CCN(CCC(=O)OCCCCCCCCCC)CCC(=O)OCCCCCCCCCC
InChIInChI=1S/C68H132N6O10/c1-9-13-17-21-25-29-33-37-59-81-65(77)43-49-73(50-44-66(78)82-60-38-34-30-26-22-18-14-10-2)57-55-71(7)63(75)41-47-69(5)53-54-70(6)48-42-64(76)72(8)56-58-74(51-45-67(79)83-61-39-35-31-27-23-19-15-11-3)52-46-68(80)84-62-40-36-32-28-24-20-16-12-4/h9-62H2,1-8H3
InChIKeyQXGAUPIKHRWOFA-UHFFFAOYSA-N
XLogP13.45
TPSA158.78 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds63
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001193.84
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze decyl 3-[2-[3-[2-[[3-[2-[bis(3-decoxy-3-oxopropyl)amino]ethyl-methylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoyl-methylamino]ethyl-(3-decoxy-3-oxopropyl)amino]propanoate with MolForge

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Related Compounds

2-[3-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl-methylamino]propanoyloxy]ethyl 3-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl-methylamino]propanoate
CID 168851388
tridecyl 3-[2-[bis[2-[methyl-(3-oxo-3-tridecoxypropyl)amino]ethyl]amino]ethyl-methylamino]propanoate
CID 73389311
2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl 3-[2-[[3-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate
CID 168851307
tridecyl 3-[3-[2-[3-[bis(3-oxo-3-tridecoxypropyl)amino]propyl-butylamino]ethyl-methylamino]propyl-(3-oxo-3-tridecoxypropyl)amino]propanoate
CID 73389648
methyl 3-[2-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl-methylamino]ethyl-(3-dodecoxy-3-oxopropyl)amino]propanoate;methyl 3-[2-[2-[bis(3-oxo-3-tridecoxypropyl)amino]ethyl-methylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate
CID 159593624
dodecyl 3-[3-[2-[3-[bis(3-dodecoxy-3-oxopropyl)amino]propyl-propylamino]ethyl-methylamino]propyl-(3-dodecoxy-3-oxopropyl)amino]propanoate
CID 73388579
tetradecyl 3-[3-[3-[bis(3-oxo-3-tetradecoxypropyl)amino]propyl-methylamino]propyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate
CID 73389645
dodecyl 4-[methyl(octadecyl)amino]-4-oxobutanoate
CID 101425995
tridecyl 3-[3-[3-[bis(3-oxo-3-tridecoxypropyl)amino]propyl-methylamino]propyl-(3-oxo-3-tridecoxypropyl)amino]propanoate
CID 73389555
methyl 3-[2-[2-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-ethylamino]ethyl-methylamino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;methyl 3-[2-[2-[2-[bis(3-oxo-3-tridecoxypropyl)amino]ethyl-ethylamino]ethyl-methylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate
CID 158039985
methyl 3-[2-[2-[2-[bis(3-decoxy-3-oxopropyl)amino]ethyl-ethylamino]ethyl-methylamino]ethyl-(3-decoxy-3-oxopropyl)amino]propanoate
CID 90207739
5-[bis(3-oxo-3-tetradecoxypropyl)amino]pentanoic acid
CID 163227526

Frequently Asked Questions

What is the IUPAC name of decyl 3-[2-[3-[2-[[3-[2-[bis(3-decoxy-3-oxopropyl)amino]ethyl-methylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoyl-methylamino]ethyl-(3-decoxy-3-oxopropyl)amino]propanoate?
The IUPAC name of decyl 3-[2-[3-[2-[[3-[2-[bis(3-decoxy-3-oxopropyl)amino]ethyl-methylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoyl-methylamino]ethyl-(3-decoxy-3-oxopropyl)amino]propanoate (CID 170086583) is decyl 3-[2-[3-[2-[[3-[2-[bis(3-decoxy-3-oxopropyl)amino]ethyl-methylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoyl-methylamino]ethyl-(3-decoxy-3-oxopropyl)amino]propanoate.
What is the SMILES notation for decyl 3-[2-[3-[2-[[3-[2-[bis(3-decoxy-3-oxopropyl)amino]ethyl-methylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoyl-methylamino]ethyl-(3-decoxy-3-oxopropyl)amino]propanoate?
The canonical SMILES for decyl 3-[2-[3-[2-[[3-[2-[bis(3-decoxy-3-oxopropyl)amino]ethyl-methylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoyl-methylamino]ethyl-(3-decoxy-3-oxopropyl)amino]propanoate is CCCCCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCCCCC)CCN(C)C(=O)CCN(C)CCN(C)CCC(=O)N(C)CCN(CCC(=O)OCCCCCCCCCC)CCC(=O)OCCCCCCCCCC.
What is the InChIKey of decyl 3-[2-[3-[2-[[3-[2-[bis(3-decoxy-3-oxopropyl)amino]ethyl-methylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoyl-methylamino]ethyl-(3-decoxy-3-oxopropyl)amino]propanoate?
The InChIKey is QXGAUPIKHRWOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H132N6O10/c1-9-13-17-21-25-29-33-37-59-81-65(77)43-49-73(50-44-66(78)82-60-38-34-30-26-22-18-14-10-2)57-55-71(7)63(75)41-47-69(5)53-54-70(6)48-42-64(76)72(8)56-58-74(51-45-67(79)83-61-39-35-31-27-23-19-15-11-3)52-46-68(80)84-62-40-36-32-28-24-20-16-12-4/h9-62H2,1-8H3.
What are the key properties of decyl 3-[2-[3-[2-[[3-[2-[bis(3-decoxy-3-oxopropyl)amino]ethyl-methylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoyl-methylamino]ethyl-(3-decoxy-3-oxopropyl)amino]propanoate?
decyl 3-[2-[3-[2-[[3-[2-[bis(3-decoxy-3-oxopropyl)amino]ethyl-methylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoyl-methylamino]ethyl-(3-decoxy-3-oxopropyl)amino]propanoate has a molecular weight of 1193.84 g/mol, XLogP of 13.45, 63 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 3-[2-[3-[2-[[3-[2-[bis(3-decoxy-3-oxopropyl)amino]ethyl-methylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoyl-methylamino]ethyl-(3-decoxy-3-oxopropyl)amino]propanoate is sourced from PubChem (CID 170086583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).