N,N,N',N'-tetraoctylhexanediamide

C38H76N2O2 — CID 18938545

IUPACN,N,N',N'-tetraoctylhexanediamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CCCCC(=O)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C38H76N2O2/c1-5-9-13-17-21-27-33-39(34-28-22-18-14-10-6-2)37(41)31-25-26-32-38(42)40(35-29-23-19-15-11-7-3)36-30-24-20-16-12-8-4/h5-36H2,1-4H3
InChIKeyQBHSCKHYOYBHCD-UHFFFAOYSA-N
MW593.04 g/mol
LogP11.65
Rot. Bonds33

About N,N,N',N'-tetraoctylhexanediamide

N,N,N',N'-tetraoctylhexanediamide (PubChem CID 18938545) has the molecular formula C38H76N2O2 and a molecular weight of 593.04 g/mol. Its IUPAC name is N,N,N',N'-tetraoctylhexanediamide.

Molecular Properties

Compound NameN,N,N',N'-tetraoctylhexanediamide
PubChem CID18938545
Molecular FormulaC38H76N2O2
Molecular Weight593.04 g/mol
Exact Mass592.59
IUPAC NameN,N,N',N'-tetraoctylhexanediamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CCCCC(=O)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C38H76N2O2/c1-5-9-13-17-21-27-33-39(34-28-22-18-14-10-6-2)37(41)31-25-26-32-38(42)40(35-29-23-19-15-11-7-3)36-30-24-20-16-12-8-4/h5-36H2,1-4H3
InChIKeyQBHSCKHYOYBHCD-UHFFFAOYSA-N
XLogP11.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.04
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-di(nonyl)octanamide
CID 533141
N,N-dioctyltetradecanamide
CID 169083302
N-butyl-N-octyldecanamide
CID 18913402
N,N-di(undecyl)pentanamide
CID 532896
N',N'-dioctylhexanediamide
CID 53437404
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N,N-dipropylnonadecanamide
CID 12960009
6-bromo-N,N-dioctylhexanamide
CID 533338
8-bromo-N,N-didecyloctanamide;ethane
CID 168943816
N,N-bis[10-[dodecyl(octanoyl)amino]decyl]carbamoyl chloride
CID 176728208
N,N-bis(3-hydroxypropyl)icosanamide
CID 102118836

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetraoctylhexanediamide?
The IUPAC name of N,N,N',N'-tetraoctylhexanediamide (CID 18938545) is N,N,N',N'-tetraoctylhexanediamide.
What is the SMILES notation for N,N,N',N'-tetraoctylhexanediamide?
The canonical SMILES for N,N,N',N'-tetraoctylhexanediamide is CCCCCCCCN(CCCCCCCC)C(=O)CCCCC(=O)N(CCCCCCCC)CCCCCCCC.
What is the InChIKey of N,N,N',N'-tetraoctylhexanediamide?
The InChIKey is QBHSCKHYOYBHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H76N2O2/c1-5-9-13-17-21-27-33-39(34-28-22-18-14-10-6-2)37(41)31-25-26-32-38(42)40(35-29-23-19-15-11-7-3)36-30-24-20-16-12-8-4/h5-36H2,1-4H3.
What are the key properties of N,N,N',N'-tetraoctylhexanediamide?
N,N,N',N'-tetraoctylhexanediamide has a molecular weight of 593.04 g/mol, XLogP of 11.65, 33 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetraoctylhexanediamide is sourced from PubChem (CID 18938545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).