N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide

C66H129N5O2 — CID 168943789

IUPACN,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCCCN(CCCCCCCCCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)CCCn1ccnc1
InChIInChI=1S/C66H129N5O2/c1-5-9-13-17-21-31-39-47-59-70(60-48-40-32-22-18-14-10-6-2)65(72)52-43-35-27-25-29-37-45-55-68(57-51-58-69-63-54-67-64-69)56-46-38-30-26-28-36-44-53-66(73)71(61-49-41-33-23-19-15-11-7-3)62-50-42-34-24-20-16-12-8-4/h54,63-64H,5-53,55-62H2,1-4H3
InChIKeyXDRJHWRLHCJEIV-UHFFFAOYSA-N
MW1024.79 g/mol
LogP20.04
Rot. Bonds60

About N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide

N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide (PubChem CID 168943789) has the molecular formula C66H129N5O2 and a molecular weight of 1024.79 g/mol. Its IUPAC name is N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide.

Molecular Properties

Compound NameN,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide
PubChem CID168943789
Molecular FormulaC66H129N5O2
Molecular Weight1024.79 g/mol
Exact Mass1024.01
IUPAC NameN,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCCCN(CCCCCCCCCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)CCCn1ccnc1
InChIInChI=1S/C66H129N5O2/c1-5-9-13-17-21-31-39-47-59-70(60-48-40-32-22-18-14-10-6-2)65(72)52-43-35-27-25-29-37-45-55-68(57-51-58-69-63-54-67-64-69)56-46-38-30-26-28-36-44-53-66(73)71(61-49-41-33-23-19-15-11-7-3)62-50-42-34-24-20-16-12-8-4/h54,63-64H,5-53,55-62H2,1-4H3
InChIKeyXDRJHWRLHCJEIV-UHFFFAOYSA-N
XLogP20.04
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds60
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001024.79
LogP ≤ 520.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide with MolForge

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Related Compounds

3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid
CID 82328294
3-[3-imidazol-1-ylpropyl(pentanoyl)amino]-2-methylpropanoic acid
CID 82323590
ethane;3-pentyloctyl 8-[heptyl(3-imidazol-1-ylpropyl)amino]octanoate
CID 178033511
N-(3-imidazol-1-ylpropyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]nonanamide
CID 42699338
carbonic acid;1-dodecylimidazole
CID 175596781
7-[(8-heptoxy-8-oxooctyl)-(3-imidazol-1-ylpropyl)amino]heptyl 2-octyldecanoate
CID 169079667
7-[3-imidazol-1-ylpropyl-(8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate
CID 167712122
heptadecan-9-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4-imidazol-1-ylbutyl)amino]-5-hydroxyoctanoate
CID 176870457
acetic acid;1-decylimidazole
CID 175546754
1-nonylimidazole;hydrobromide
CID 175434544
N-(1,3-benzodioxol-5-ylmethyl)-N-(3-imidazol-1-ylpropyl)hexanamide
CID 42724139
N,N-di(nonyl)octanamide
CID 533141

Frequently Asked Questions

What is the IUPAC name of N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide?
The IUPAC name of N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide (CID 168943789) is N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide.
What is the SMILES notation for N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide?
The canonical SMILES for N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide is CCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCCCN(CCCCCCCCCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)CCCn1ccnc1.
What is the InChIKey of N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide?
The InChIKey is XDRJHWRLHCJEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H129N5O2/c1-5-9-13-17-21-31-39-47-59-70(60-48-40-32-22-18-14-10-6-2)65(72)52-43-35-27-25-29-37-45-55-68(57-51-58-69-63-54-67-64-69)56-46-38-30-26-28-36-44-53-66(73)71(61-49-41-33-23-19-15-11-7-3)62-50-42-34-24-20-16-12-8-4/h54,63-64H,5-53,55-62H2,1-4H3.
What are the key properties of N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide?
N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide has a molecular weight of 1024.79 g/mol, XLogP of 20.04, 60 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide is sourced from PubChem (CID 168943789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).