22-(docosanoylamino)docosanamide

C44H88N2O2 — CID 90926402

IUPAC22-(docosanoylamino)docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C44H88N2O2/c1-2-3-4-5-6-7-8-9-10-11-13-17-20-23-26-29-32-35-38-41-44(48)46-42-39-36-33-30-27-24-21-18-15-12-14-16-19-22-25-28-31-34-37-40-43(45)47/h2-42H2,1H3,(H2,45,47)(H,46,48)
InChIKeyKWUWEZZKJFXFGO-UHFFFAOYSA-N
MW677.20 g/mol
LogP14.21
Rot. Bonds42

About 22-(docosanoylamino)docosanamide

22-(docosanoylamino)docosanamide (PubChem CID 90926402) has the molecular formula C44H88N2O2 and a molecular weight of 677.20 g/mol. Its IUPAC name is 22-(docosanoylamino)docosanamide.

Molecular Properties

Compound Name22-(docosanoylamino)docosanamide
PubChem CID90926402
Molecular FormulaC44H88N2O2
Molecular Weight677.20 g/mol
Exact Mass676.68
IUPAC Name22-(docosanoylamino)docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C44H88N2O2/c1-2-3-4-5-6-7-8-9-10-11-13-17-20-23-26-29-32-35-38-41-44(48)46-42-39-36-33-30-27-24-21-18-15-12-14-16-19-22-25-28-31-34-37-40-43(45)47/h2-42H2,1H3,(H2,45,47)(H,46,48)
InChIKeyKWUWEZZKJFXFGO-UHFFFAOYSA-N
XLogP14.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds42
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.20
LogP ≤ 514.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-docosyldocosanediamide
CID 91257562
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
N'-octylhexanediamide
CID 18377759
N'-heptylundecanediamide;propanoic acid
CID 175230905
N'-dodecylbutanediamide
CID 19973702
N'-icosylbutanediamide
CID 175408923
N-(3-amino-3-oxopropyl)octadecanamide
CID 57257667
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664

Frequently Asked Questions

What is the IUPAC name of 22-(docosanoylamino)docosanamide?
The IUPAC name of 22-(docosanoylamino)docosanamide (CID 90926402) is 22-(docosanoylamino)docosanamide.
What is the SMILES notation for 22-(docosanoylamino)docosanamide?
The canonical SMILES for 22-(docosanoylamino)docosanamide is CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCCCCCCCCCCCCC(N)=O.
What is the InChIKey of 22-(docosanoylamino)docosanamide?
The InChIKey is KWUWEZZKJFXFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H88N2O2/c1-2-3-4-5-6-7-8-9-10-11-13-17-20-23-26-29-32-35-38-41-44(48)46-42-39-36-33-30-27-24-21-18-15-12-14-16-19-22-25-28-31-34-37-40-43(45)47/h2-42H2,1H3,(H2,45,47)(H,46,48).
What are the key properties of 22-(docosanoylamino)docosanamide?
22-(docosanoylamino)docosanamide has a molecular weight of 677.20 g/mol, XLogP of 14.21, 42 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(docosanoylamino)docosanamide is sourced from PubChem (CID 90926402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).