(4Z,7Z,10Z,12Z,15Z,18Z)-N-propan-2-ylhenicosa-4,7,10,12,15,18-hexaenamide

C24H37NO — CID 53324039

IUPAC(4Z,7Z,10Z,12Z,15Z,18Z)-N-propan-2-ylhenicosa-4,7,10,12,15,18-hexaenamide
SMILESCC/C=C\C/C=C\C/C=C\C=C/C/C=C\C/C=C\CCC(=O)NC(C)C
InChIInChI=1S/C24H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)25-23(2)3/h5-6,8-9,11-14,16-17,19-20,23H,4,7,10,15,18,21-22H2,1-3H3,(H,25,26)/b6-5-,9-8-,12-11-,14-13-,17-16-,20-19-
InChIKeyIAWCXTZGAPEZON-VEWWNFFNSA-N
MW355.57 g/mol
LogP6.60
Rot. Bonds14

About (4Z,7Z,10Z,12Z,15Z,18Z)-N-propan-2-ylhenicosa-4,7,10,12,15,18-hexaenamide

(4Z,7Z,10Z,12Z,15Z,18Z)-N-propan-2-ylhenicosa-4,7,10,12,15,18-hexaenamide (PubChem CID 53324039) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is (4Z,7Z,10Z,12Z,15Z,18Z)-N-propan-2-ylhenicosa-4,7,10,12,15,18-hexaenamide.

Molecular Properties

Compound Name(4Z,7Z,10Z,12Z,15Z,18Z)-N-propan-2-ylhenicosa-4,7,10,12,15,18-hexaenamide
PubChem CID53324039
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC Name(4Z,7Z,10Z,12Z,15Z,18Z)-N-propan-2-ylhenicosa-4,7,10,12,15,18-hexaenamide
SMILESCC/C=C\C/C=C\C/C=C\C=C/C/C=C\C/C=C\CCC(=O)NC(C)C
InChIInChI=1S/C24H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)25-23(2)3/h5-6,8-9,11-14,16-17,19-20,23H,4,7,10,15,18,21-22H2,1-3H3,(H,25,26)/b6-5-,9-8-,12-11-,14-13-,17-16-,20-19-
InChIKeyIAWCXTZGAPEZON-VEWWNFFNSA-N
XLogP6.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,12Z,15Z,18Z)-N-propan-2-ylhenicosa-4,7,10,12,15,18-hexaenamide?
The IUPAC name of (4Z,7Z,10Z,12Z,15Z,18Z)-N-propan-2-ylhenicosa-4,7,10,12,15,18-hexaenamide (CID 53324039) is (4Z,7Z,10Z,12Z,15Z,18Z)-N-propan-2-ylhenicosa-4,7,10,12,15,18-hexaenamide.
What is the SMILES notation for (4Z,7Z,10Z,12Z,15Z,18Z)-N-propan-2-ylhenicosa-4,7,10,12,15,18-hexaenamide?
The canonical SMILES for (4Z,7Z,10Z,12Z,15Z,18Z)-N-propan-2-ylhenicosa-4,7,10,12,15,18-hexaenamide is CC/C=C\C/C=C\C/C=C\C=C/C/C=C\C/C=C\CCC(=O)NC(C)C.
What is the InChIKey of (4Z,7Z,10Z,12Z,15Z,18Z)-N-propan-2-ylhenicosa-4,7,10,12,15,18-hexaenamide?
The InChIKey is IAWCXTZGAPEZON-VEWWNFFNSA-N. The full InChI is InChI=1S/C24H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)25-23(2)3/h5-6,8-9,11-14,16-17,19-20,23H,4,7,10,15,18,21-22H2,1-3H3,(H,25,26)/b6-5-,9-8-,12-11-,14-13-,17-16-,20-19-.
What are the key properties of (4Z,7Z,10Z,12Z,15Z,18Z)-N-propan-2-ylhenicosa-4,7,10,12,15,18-hexaenamide?
(4Z,7Z,10Z,12Z,15Z,18Z)-N-propan-2-ylhenicosa-4,7,10,12,15,18-hexaenamide has a molecular weight of 355.57 g/mol, XLogP of 6.60, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,12Z,15Z,18Z)-N-propan-2-ylhenicosa-4,7,10,12,15,18-hexaenamide is sourced from PubChem (CID 53324039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).