2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-2-methyl-N-oxopropanamide

C24H37NO3 — CID 88557290

About 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-2-methyl-N-oxopropanamide

2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-2-methyl-N-oxopropanamide (PubChem CID 88557290) has the molecular formula C24H37NO3 and a molecular weight of 387.56 g/mol. Its IUPAC name is 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-2-methyl-N-oxopropanamide.

Molecular Properties

• Compound Name: 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-2-methyl-N-oxopropanamide
• PubChem CID: 88557290
• Molecular Formula: C24H37NO3
• Molecular Weight: 387.56 g/mol
• Exact Mass: 387.28
• IUPAC Name: 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-2-methyl-N-oxopropanamide
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(C)(C)C(=O)N=O
• InChI: InChI=1S/C24H37NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-24(2,3)23(26)25-27/h5-6,8-9,11-12,14-15,17-18H,4,7,10,13,16,19-22H2,1-3H3/b6-5-,9-8-,12-11-,15-14-,18-17-
• InChIKey: LWRKOCAVZVQBOC-AAQCHOMXSA-N
• XLogP: 7.00
• TPSA: 55.73 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.56
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-2-methyl-N-oxopropanamide?

The IUPAC name of 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-2-methyl-N-oxopropanamide (CID 88557290) is 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-2-methyl-N-oxopropanamide.

What is the SMILES notation for 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-2-methyl-N-oxopropanamide?

The canonical SMILES for 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-2-methyl-N-oxopropanamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(C)(C)C(=O)N=O.

What is the InChIKey of 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-2-methyl-N-oxopropanamide?

The InChIKey is LWRKOCAVZVQBOC-AAQCHOMXSA-N. The full InChI is InChI=1S/C24H37NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-24(2,3)23(26)25-27/h5-6,8-9,11-12,14-15,17-18H,4,7,10,13,16,19-22H2,1-3H3/b6-5-,9-8-,12-11-,15-14-,18-17-.

What are the key properties of 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-2-methyl-N-oxopropanamide?

2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-2-methyl-N-oxopropanamide has a molecular weight of 387.56 g/mol, XLogP of 7.00, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-2-methyl-N-oxopropanamide is sourced from PubChem (CID 88557290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).