N',N'-dioctylhexanediamide

C22H44N2O2 — CID 53437404

IUPACN',N'-dioctylhexanediamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CCCCC(N)=O
InChIInChI=1S/C22H44N2O2/c1-3-5-7-9-11-15-19-24(20-16-12-10-8-6-4-2)22(26)18-14-13-17-21(23)25/h3-20H2,1-2H3,(H2,23,25)
InChIKeyCVDUMKYJPXKYRZ-UHFFFAOYSA-N
MW368.61 g/mol
LogP5.58
Rot. Bonds19

About N',N'-dioctylhexanediamide

N',N'-dioctylhexanediamide (PubChem CID 53437404) has the molecular formula C22H44N2O2 and a molecular weight of 368.61 g/mol. Its IUPAC name is N',N'-dioctylhexanediamide.

Molecular Properties

Compound NameN',N'-dioctylhexanediamide
PubChem CID53437404
Molecular FormulaC22H44N2O2
Molecular Weight368.61 g/mol
Exact Mass368.34
IUPAC NameN',N'-dioctylhexanediamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CCCCC(N)=O
InChIInChI=1S/C22H44N2O2/c1-3-5-7-9-11-15-19-24(20-16-12-10-8-6-4-2)22(26)18-14-13-17-21(23)25/h3-20H2,1-2H3,(H2,23,25)
InChIKeyCVDUMKYJPXKYRZ-UHFFFAOYSA-N
XLogP5.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 55.58
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

N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
N'-nonyl-N'-undecylbutanediamide;propane
CID 172578364
N-butyl-N-octyldecanamide
CID 18913402
N,N-di(undecyl)pentanamide
CID 532896
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946
N,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide
CID 11949663
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

Frequently Asked Questions

What is the IUPAC name of N',N'-dioctylhexanediamide?
The IUPAC name of N',N'-dioctylhexanediamide (CID 53437404) is N',N'-dioctylhexanediamide.
What is the SMILES notation for N',N'-dioctylhexanediamide?
The canonical SMILES for N',N'-dioctylhexanediamide is CCCCCCCCN(CCCCCCCC)C(=O)CCCCC(N)=O.
What is the InChIKey of N',N'-dioctylhexanediamide?
The InChIKey is CVDUMKYJPXKYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O2/c1-3-5-7-9-11-15-19-24(20-16-12-10-8-6-4-2)22(26)18-14-13-17-21(23)25/h3-20H2,1-2H3,(H2,23,25).
What are the key properties of N',N'-dioctylhexanediamide?
N',N'-dioctylhexanediamide has a molecular weight of 368.61 g/mol, XLogP of 5.58, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dioctylhexanediamide is sourced from PubChem (CID 53437404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).