nonadecan-9-yl 10-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl-(9-oxo-9-undecoxynonyl)amino]decanoate

C55H106N2O6 — CID 169302348

IUPACnonadecan-9-yl 10-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl-(9-oxo-9-undecoxynonyl)amino]decanoate
SMILESCCCCCCCCCCCOC(=O)CCCCCCCCN(CCCCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCCCC)CCCN1CCOC1=O
InChIInChI=1S/C55H106N2O6/c1-4-7-10-13-16-18-25-32-39-50-61-53(58)43-35-28-22-24-31-38-46-56(47-40-48-57-49-51-62-55(57)60)45-37-30-23-19-21-29-36-44-54(59)63-52(41-33-26-15-12-9-6-3)42-34-27-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3
InChIKeyNRFWSUFLELIAAH-UHFFFAOYSA-N
MW891.46 g/mol
LogP16.25
Rot. Bonds50

About nonadecan-9-yl 10-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl-(9-oxo-9-undecoxynonyl)amino]decanoate

nonadecan-9-yl 10-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl-(9-oxo-9-undecoxynonyl)amino]decanoate (PubChem CID 169302348) has the molecular formula C55H106N2O6 and a molecular weight of 891.46 g/mol. Its IUPAC name is nonadecan-9-yl 10-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl-(9-oxo-9-undecoxynonyl)amino]decanoate.

Molecular Properties

Compound Namenonadecan-9-yl 10-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl-(9-oxo-9-undecoxynonyl)amino]decanoate
PubChem CID169302348
Molecular FormulaC55H106N2O6
Molecular Weight891.46 g/mol
Exact Mass890.81
IUPAC Namenonadecan-9-yl 10-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl-(9-oxo-9-undecoxynonyl)amino]decanoate
SMILESCCCCCCCCCCCOC(=O)CCCCCCCCN(CCCCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCCCC)CCCN1CCOC1=O
InChIInChI=1S/C55H106N2O6/c1-4-7-10-13-16-18-25-32-39-50-61-53(58)43-35-28-22-24-31-38-46-56(47-40-48-57-49-51-62-55(57)60)45-37-30-23-19-21-29-36-44-54(59)63-52(41-33-26-15-12-9-6-3)42-34-27-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3
InChIKeyNRFWSUFLELIAAH-UHFFFAOYSA-N
XLogP16.25
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds50
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.46
LogP ≤ 516.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze nonadecan-9-yl 10-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl-(9-oxo-9-undecoxynonyl)amino]decanoate with MolForge

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Launch Full Analysis

Related Compounds

pentyl 8-[2-(4-methylpiperazin-1-yl)ethyl-(8-oxo-8-tetradecan-7-yloxyoctyl)amino]octanoate
CID 167418965
nonyl 7-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]heptanoate
CID 163297080
nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(3-hydroxypropyl)amino]octanoate
CID 126697547
nonyl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(3-hydroxypropyl)amino]hexanoate
CID 163297070
pentyl 10-[3-aminopropyl-(5-nonadecan-10-yloxy-5-oxopentyl)amino]decanoate
CID 171836854
heptadecan-9-yl 8-[2-hydroxyethyl-(7-nonoxy-7-oxoheptyl)amino]octanoate
CID 163297077
heptadecan-9-yl 8-[3-aminopropyl-(6-oxo-6-undecoxyhexyl)amino]octanoate
CID 135329660
heptyl 8-[(7-heptadecan-9-yloxy-7-oxoheptyl)-(2-hydroxyethyl)amino]octanoate
CID 163297074
undecyl 7-[(7-heptadecan-9-yloxy-7-oxoheptyl)-(3-hydroxypropyl)amino]heptanoate
CID 163297066
pentadecan-7-yl 8-[4-hydroxybutyl-(6-oxo-6-undecoxyhexyl)amino]octanoate
CID 169189808
undecyl 8-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]octanoate
CID 163297075
heptadecan-9-yl 8-[2-hydroxyethyl-(7-oxo-7-undecoxyheptyl)amino]octanoate
CID 163297076

Frequently Asked Questions

What is the IUPAC name of nonadecan-9-yl 10-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl-(9-oxo-9-undecoxynonyl)amino]decanoate?
The IUPAC name of nonadecan-9-yl 10-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl-(9-oxo-9-undecoxynonyl)amino]decanoate (CID 169302348) is nonadecan-9-yl 10-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl-(9-oxo-9-undecoxynonyl)amino]decanoate.
What is the SMILES notation for nonadecan-9-yl 10-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl-(9-oxo-9-undecoxynonyl)amino]decanoate?
The canonical SMILES for nonadecan-9-yl 10-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl-(9-oxo-9-undecoxynonyl)amino]decanoate is CCCCCCCCCCCOC(=O)CCCCCCCCN(CCCCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCCCC)CCCN1CCOC1=O.
What is the InChIKey of nonadecan-9-yl 10-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl-(9-oxo-9-undecoxynonyl)amino]decanoate?
The InChIKey is NRFWSUFLELIAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H106N2O6/c1-4-7-10-13-16-18-25-32-39-50-61-53(58)43-35-28-22-24-31-38-46-56(47-40-48-57-49-51-62-55(57)60)45-37-30-23-19-21-29-36-44-54(59)63-52(41-33-26-15-12-9-6-3)42-34-27-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3.
What are the key properties of nonadecan-9-yl 10-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl-(9-oxo-9-undecoxynonyl)amino]decanoate?
nonadecan-9-yl 10-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl-(9-oxo-9-undecoxynonyl)amino]decanoate has a molecular weight of 891.46 g/mol, XLogP of 16.25, 50 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for nonadecan-9-yl 10-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl-(9-oxo-9-undecoxynonyl)amino]decanoate is sourced from PubChem (CID 169302348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).