(4Z,7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-4,7,10,13,16,19-hexaenamide

C23H35NO — CID 11998059

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-4,7,10,13,16,19-hexaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(C)C(N)=O
InChIInChI=1S/C23H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23(24)25/h4-5,7-8,10-11,13-14,16-17,19-20,22H,3,6,9,12,15,18,21H2,1-2H3,(H2,24,25)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
InChIKeyGXUFBCOPXPGDQK-JDPCYWKWSA-N
MW341.54 g/mol
LogP6.20
Rot. Bonds14

About (4Z,7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-4,7,10,13,16,19-hexaenamide

(4Z,7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-4,7,10,13,16,19-hexaenamide (PubChem CID 11998059) has the molecular formula C23H35NO and a molecular weight of 341.54 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-4,7,10,13,16,19-hexaenamide
PubChem CID11998059
Molecular FormulaC23H35NO
Molecular Weight341.54 g/mol
Exact Mass341.27
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-4,7,10,13,16,19-hexaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(C)C(N)=O
InChIInChI=1S/C23H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23(24)25/h4-5,7-8,10-11,13-14,16-17,19-20,22H,3,6,9,12,15,18,21H2,1-2H3,(H2,24,25)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
InChIKeyGXUFBCOPXPGDQK-JDPCYWKWSA-N
XLogP6.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-4,7,10,13,16,19-hexaenamide?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-4,7,10,13,16,19-hexaenamide (CID 11998059) is (4Z,7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-4,7,10,13,16,19-hexaenamide.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-4,7,10,13,16,19-hexaenamide?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-4,7,10,13,16,19-hexaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(C)C(N)=O.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-4,7,10,13,16,19-hexaenamide?
The InChIKey is GXUFBCOPXPGDQK-JDPCYWKWSA-N. The full InChI is InChI=1S/C23H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23(24)25/h4-5,7-8,10-11,13-14,16-17,19-20,22H,3,6,9,12,15,18,21H2,1-2H3,(H2,24,25)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-.
What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-4,7,10,13,16,19-hexaenamide?
(4Z,7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 341.54 g/mol, XLogP of 6.20, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 11998059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).