docosa-2,13-dienamide

C22H41NO — CID 91597038

IUPACdocosa-2,13-dienamide
SMILESCCCCCCCCC=CCCCCCCCCCC=CC(N)=O
InChIInChI=1S/C22H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10,20-21H,2-8,11-19H2,1H3,(H2,23,24)
InChIKeyXNALUXWTKRQYHP-UHFFFAOYSA-N
MW335.58 g/mol
LogP6.85
Rot. Bonds18

About docosa-2,13-dienamide

docosa-2,13-dienamide (PubChem CID 91597038) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is docosa-2,13-dienamide.

Molecular Properties

Compound Namedocosa-2,13-dienamide
PubChem CID91597038
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC Namedocosa-2,13-dienamide
SMILESCCCCCCCCC=CCCCCCCCCCC=CC(N)=O
InChIInChI=1S/C22H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10,20-21H,2-8,11-19H2,1H3,(H2,23,24)
InChIKeyXNALUXWTKRQYHP-UHFFFAOYSA-N
XLogP6.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

trideca-2,6-dienamide
CID 163862607
(Z)-non-2-enamide
CID 97047009
hept-2-enamide;dihydrochloride
CID 142841404
(2E,8Z)-undeca-2,8-dienamide
CID 87669666
icosa-2,4-dienamide
CID 123364114
(2E,4Z)-deca-2,4-dienamide
CID 87184515
(Z)-tetratriacont-9-enamide
CID 86624387
(Z)-tricos-15-enamide
CID 155109212
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
icosa-2,12-dienoic acid
CID 174301675
nonadec-3-enamide
CID 54215031

Frequently Asked Questions

What is the IUPAC name of docosa-2,13-dienamide?
The IUPAC name of docosa-2,13-dienamide (CID 91597038) is docosa-2,13-dienamide.
What is the SMILES notation for docosa-2,13-dienamide?
The canonical SMILES for docosa-2,13-dienamide is CCCCCCCCC=CCCCCCCCCCC=CC(N)=O.
What is the InChIKey of docosa-2,13-dienamide?
The InChIKey is XNALUXWTKRQYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10,20-21H,2-8,11-19H2,1H3,(H2,23,24).
What are the key properties of docosa-2,13-dienamide?
docosa-2,13-dienamide has a molecular weight of 335.58 g/mol, XLogP of 6.85, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for docosa-2,13-dienamide is sourced from PubChem (CID 91597038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).