(Z)-tricos-15-enamide

C23H45NO — CID 155109212

IUPAC(Z)-tricos-15-enamide
SMILESCCCCCCC/C=C\CCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C23H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h8-9H,2-7,10-22H2,1H3,(H2,24,25)/b9-8-
InChIKeySJAFOEXRYADAAM-HJWRWDBZSA-N
MW351.62 g/mol
LogP7.46
Rot. Bonds20

About (Z)-tricos-15-enamide

(Z)-tricos-15-enamide (PubChem CID 155109212) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is (Z)-tricos-15-enamide.

Molecular Properties

Compound Name(Z)-tricos-15-enamide
PubChem CID155109212
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC Name(Z)-tricos-15-enamide
SMILESCCCCCCC/C=C\CCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C23H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h8-9H,2-7,10-22H2,1H3,(H2,24,25)/b9-8-
InChIKeySJAFOEXRYADAAM-HJWRWDBZSA-N
XLogP7.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 57.46
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-tricos-15-enamide?
The IUPAC name of (Z)-tricos-15-enamide (CID 155109212) is (Z)-tricos-15-enamide.
What is the SMILES notation for (Z)-tricos-15-enamide?
The canonical SMILES for (Z)-tricos-15-enamide is CCCCCCC/C=C\CCCCCCCCCCCCCC(N)=O.
What is the InChIKey of (Z)-tricos-15-enamide?
The InChIKey is SJAFOEXRYADAAM-HJWRWDBZSA-N. The full InChI is InChI=1S/C23H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h8-9H,2-7,10-22H2,1H3,(H2,24,25)/b9-8-.
What are the key properties of (Z)-tricos-15-enamide?
(Z)-tricos-15-enamide has a molecular weight of 351.62 g/mol, XLogP of 7.46, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-tricos-15-enamide is sourced from PubChem (CID 155109212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).