N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide

C70H136N2O4 — CID 88723391

IUPACN-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(CCN(C(=O)CCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C70H136N2O4/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-69(75)72(70(76)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)66-65-71(67(73)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)68(74)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4/h5-66H2,1-4H3
InChIKeyUIKSTPWXADBOPC-UHFFFAOYSA-N
MW1069.87 g/mol
LogP23.18
Rot. Bonds63

About N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide

N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide (PubChem CID 88723391) has the molecular formula C70H136N2O4 and a molecular weight of 1069.87 g/mol. Its IUPAC name is N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide.

Molecular Properties

Compound NameN-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide
PubChem CID88723391
Molecular FormulaC70H136N2O4
Molecular Weight1069.87 g/mol
Exact Mass1069.05
IUPAC NameN-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(CCN(C(=O)CCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C70H136N2O4/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-69(75)72(70(76)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)66-65-71(67(73)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)68(74)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4/h5-66H2,1-4H3
InChIKeyUIKSTPWXADBOPC-UHFFFAOYSA-N
XLogP23.18
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds63
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.87
LogP ≤ 523.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;N-ethyl-N-undecanoylundecanamide;hydride
CID 173159792
N-bromo-N-hydroxyheptatriacontanamide
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N-hexadecyl-N-hydroxyoctadecanamide
CID 150697655
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N-bromo-N-hydroxytetradecanamide
CID 87684693
N,N-dipropylnonadecanamide
CID 12960009
N-bromo-N-hydroxynonacosanamide
CID 87682957
N,N-dioctyltetradecanamide
CID 169083302
N-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide
CID 87387008
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
N-decanoyl-N-methyldecanamide
CID 141076390

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide?
The IUPAC name of N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide (CID 88723391) is N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide.
What is the SMILES notation for N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide?
The canonical SMILES for N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide is CCCCCCCCCCCCCCCCCC(=O)N(CCN(C(=O)CCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide?
The InChIKey is UIKSTPWXADBOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H136N2O4/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-69(75)72(70(76)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)66-65-71(67(73)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)68(74)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4/h5-66H2,1-4H3.
What are the key properties of N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide?
N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide has a molecular weight of 1069.87 g/mol, XLogP of 23.18, 63 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide is sourced from PubChem (CID 88723391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).