(5Z,8Z,11Z,14Z)-N-(1-hydroxy-1-phenylpropan-2-yl)icosa-5,8,11,14-tetraenamide

C29H43NO2 — CID 5283415

IUPAC(5Z,8Z,11Z,14Z)-N-(1-hydroxy-1-phenylpropan-2-yl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(C)C(O)c1ccccc1
InChIInChI=1S/C29H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(31)30-26(2)29(32)27-23-20-19-21-24-27/h7-8,10-11,13-14,16-17,19-21,23-24,26,29,32H,3-6,9,12,15,18,22,25H2,1-2H3,(H,30,31)/b8-7-,11-10-,14-13-,17-16-
InChIKeyCDKAMGZLXLOSQF-ZKWNWVNESA-N
MW437.67 g/mol
LogP7.37
Rot. Bonds17

About (5Z,8Z,11Z,14Z)-N-(1-hydroxy-1-phenylpropan-2-yl)icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(1-hydroxy-1-phenylpropan-2-yl)icosa-5,8,11,14-tetraenamide (PubChem CID 5283415) has the molecular formula C29H43NO2 and a molecular weight of 437.67 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(1-hydroxy-1-phenylpropan-2-yl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(1-hydroxy-1-phenylpropan-2-yl)icosa-5,8,11,14-tetraenamide
PubChem CID5283415
Molecular FormulaC29H43NO2
Molecular Weight437.67 g/mol
Exact Mass437.33
IUPAC Name(5Z,8Z,11Z,14Z)-N-(1-hydroxy-1-phenylpropan-2-yl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(C)C(O)c1ccccc1
InChIInChI=1S/C29H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(31)30-26(2)29(32)27-23-20-19-21-24-27/h7-8,10-11,13-14,16-17,19-21,23-24,26,29,32H,3-6,9,12,15,18,22,25H2,1-2H3,(H,30,31)/b8-7-,11-10-,14-13-,17-16-
InChIKeyCDKAMGZLXLOSQF-ZKWNWVNESA-N
XLogP7.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.67
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (5Z,8Z,11Z,14Z)-N-(1-hydroxy-1-phenylpropan-2-yl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(1-hydroxy-1-phenylpropan-2-yl)icosa-5,8,11,14-tetraenamide (CID 5283415) is (5Z,8Z,11Z,14Z)-N-(1-hydroxy-1-phenylpropan-2-yl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(1-hydroxy-1-phenylpropan-2-yl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(1-hydroxy-1-phenylpropan-2-yl)icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(C)C(O)c1ccccc1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(1-hydroxy-1-phenylpropan-2-yl)icosa-5,8,11,14-tetraenamide?
The InChIKey is CDKAMGZLXLOSQF-ZKWNWVNESA-N. The full InChI is InChI=1S/C29H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(31)30-26(2)29(32)27-23-20-19-21-24-27/h7-8,10-11,13-14,16-17,19-21,23-24,26,29,32H,3-6,9,12,15,18,22,25H2,1-2H3,(H,30,31)/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(1-hydroxy-1-phenylpropan-2-yl)icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(1-hydroxy-1-phenylpropan-2-yl)icosa-5,8,11,14-tetraenamide has a molecular weight of 437.67 g/mol, XLogP of 7.37, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-(1-hydroxy-1-phenylpropan-2-yl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 5283415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).