N,N-didecyl-8-(octylamino)octanamide

C36H74N2O — CID 172581253

IUPACN,N-didecyl-8-(octylamino)octanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCNCCCCCCCC
InChIInChI=1S/C36H74N2O/c1-4-7-10-13-16-18-24-29-34-38(35-30-25-19-17-14-11-8-5-2)36(39)31-26-21-20-23-28-33-37-32-27-22-15-12-9-6-3/h37H,4-35H2,1-3H3
InChIKeyZQUAUHKBCOXEOP-UHFFFAOYSA-N
MW551.00 g/mol
LogP11.39
Rot. Bonds33

About N,N-didecyl-8-(octylamino)octanamide

N,N-didecyl-8-(octylamino)octanamide (PubChem CID 172581253) has the molecular formula C36H74N2O and a molecular weight of 551.00 g/mol. Its IUPAC name is N,N-didecyl-8-(octylamino)octanamide.

Molecular Properties

Compound NameN,N-didecyl-8-(octylamino)octanamide
PubChem CID172581253
Molecular FormulaC36H74N2O
Molecular Weight551.00 g/mol
Exact Mass550.58
IUPAC NameN,N-didecyl-8-(octylamino)octanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCNCCCCCCCC
InChIInChI=1S/C36H74N2O/c1-4-7-10-13-16-18-24-29-34-38(35-30-25-19-17-14-11-8-5-2)36(39)31-26-21-20-23-28-33-37-32-27-22-15-12-9-6-3/h37H,4-35H2,1-3H3
InChIKeyZQUAUHKBCOXEOP-UHFFFAOYSA-N
XLogP11.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.00
LogP ≤ 511.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(dioctylamino)-4-oxobutyl]amino]-N,N-dioctylbutanamide
CID 164875605
3-[6-[2-carboxyethyl(tridecanoyl)amino]hexylamino]propanoic acid
CID 21328693
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
N-butyl-N-octyldecanamide
CID 18913402
6-(octadecylcarbamoylamino)-N,N-dioctylhexanamide
CID 59961361
N',N'-dioctadecyl-N-pentylhexanediamide
CID 174301276
N,N-di(undecyl)pentanamide
CID 532896
N,N-diethyl-3-(heptylamino)propanamide
CID 54936007
N,N-bis(2-hydroxyethyl)dodecanamide;2-(2-hydroxyethylamino)ethanol
CID 56843583
N-butyl-N-[5-(butylamino)pentyl]propanamide
CID 142121020

Frequently Asked Questions

What is the IUPAC name of N,N-didecyl-8-(octylamino)octanamide?
The IUPAC name of N,N-didecyl-8-(octylamino)octanamide (CID 172581253) is N,N-didecyl-8-(octylamino)octanamide.
What is the SMILES notation for N,N-didecyl-8-(octylamino)octanamide?
The canonical SMILES for N,N-didecyl-8-(octylamino)octanamide is CCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCNCCCCCCCC.
What is the InChIKey of N,N-didecyl-8-(octylamino)octanamide?
The InChIKey is ZQUAUHKBCOXEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74N2O/c1-4-7-10-13-16-18-24-29-34-38(35-30-25-19-17-14-11-8-5-2)36(39)31-26-21-20-23-28-33-37-32-27-22-15-12-9-6-3/h37H,4-35H2,1-3H3.
What are the key properties of N,N-didecyl-8-(octylamino)octanamide?
N,N-didecyl-8-(octylamino)octanamide has a molecular weight of 551.00 g/mol, XLogP of 11.39, 33 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didecyl-8-(octylamino)octanamide is sourced from PubChem (CID 172581253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).