docosanediamide;hexacosanediamide

C48H96N4O4 — CID 129179979

IUPACdocosanediamide;hexacosanediamide
SMILESNC(=O)CCCCCCCCCCCCCCCCCCCCC(N)=O.NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C26H52N2O2.C22H44N2O2/c27-25(29)23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26(28)30;23-21(25)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)26/h1-24H2,(H2,27,29)(H2,28,30);1-20H2,(H2,23,25)(H2,24,26)
InChIKeyUNSIXRRPCUVTGM-UHFFFAOYSA-N
MW793.32 g/mol
LogP13.08
Rot. Bonds46

About docosanediamide;hexacosanediamide

docosanediamide;hexacosanediamide (PubChem CID 129179979) has the molecular formula C48H96N4O4 and a molecular weight of 793.32 g/mol. Its IUPAC name is docosanediamide;hexacosanediamide.

Molecular Properties

Compound Namedocosanediamide;hexacosanediamide
PubChem CID129179979
Molecular FormulaC48H96N4O4
Molecular Weight793.32 g/mol
Exact Mass792.74
IUPAC Namedocosanediamide;hexacosanediamide
SMILESNC(=O)CCCCCCCCCCCCCCCCCCCCC(N)=O.NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C26H52N2O2.C22H44N2O2/c27-25(29)23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26(28)30;23-21(25)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)26/h1-24H2,(H2,27,29)(H2,28,30);1-20H2,(H2,23,25)(H2,24,26)
InChIKeyUNSIXRRPCUVTGM-UHFFFAOYSA-N
XLogP13.08
TPSA172.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds46
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.32
LogP ≤ 513.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dodecanediamide;nonanediamide
CID 175017820
nonatetracontanediamide
CID 162734608
pentadecanediamide
CID 87429217
copper;tridecanediamide
CID 159780260
hexanediamide;hydrazine
CID 160978463
hexanediamide;hydrazine
CID 160854105
34-amino-34-oxotetratriacontanoic acid
CID 139682719
6-hydroxyhexanamide
CID 11815390
24-amino-24-oxotetracosanoic acid
CID 139682769
18-hydroxyoctadecanamide
CID 54261687
16-aminohexadecanamide
CID 86033165
cyclohexane;hexanediamide
CID 22340258

Frequently Asked Questions

What is the IUPAC name of docosanediamide;hexacosanediamide?
The IUPAC name of docosanediamide;hexacosanediamide (CID 129179979) is docosanediamide;hexacosanediamide.
What is the SMILES notation for docosanediamide;hexacosanediamide?
The canonical SMILES for docosanediamide;hexacosanediamide is NC(=O)CCCCCCCCCCCCCCCCCCCCC(N)=O.NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC(N)=O.
What is the InChIKey of docosanediamide;hexacosanediamide?
The InChIKey is UNSIXRRPCUVTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2O2.C22H44N2O2/c27-25(29)23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26(28)30;23-21(25)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)26/h1-24H2,(H2,27,29)(H2,28,30);1-20H2,(H2,23,25)(H2,24,26).
What are the key properties of docosanediamide;hexacosanediamide?
docosanediamide;hexacosanediamide has a molecular weight of 793.32 g/mol, XLogP of 13.08, 46 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for docosanediamide;hexacosanediamide is sourced from PubChem (CID 129179979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).