(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-propan-2-ylphenyl)docosa-4,7,10,13,16,19-hexaenamide

C31H43NO — CID 56659250

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-propan-2-ylphenyl)docosa-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\CCC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C31H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-31(33)32-30-26-24-23-25-29(30)28(2)3/h5-6,8-9,11-12,14-15,17-18,20-21,23-26,28H,4,7,10,13,16,19,22,27H2,1-3H3,(H,32,33)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-
InChIKeyUNLAVYVDNNBOJF-YNUSHXQLSA-N
MW445.69 g/mol
LogP9.23
Rot. Bonds16

About (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-propan-2-ylphenyl)docosa-4,7,10,13,16,19-hexaenamide

(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-propan-2-ylphenyl)docosa-4,7,10,13,16,19-hexaenamide (PubChem CID 56659250) has the molecular formula C31H43NO and a molecular weight of 445.69 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-propan-2-ylphenyl)docosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-propan-2-ylphenyl)docosa-4,7,10,13,16,19-hexaenamide
PubChem CID56659250
Molecular FormulaC31H43NO
Molecular Weight445.69 g/mol
Exact Mass445.33
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-propan-2-ylphenyl)docosa-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\CCC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C31H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-31(33)32-30-26-24-23-25-29(30)28(2)3/h5-6,8-9,11-12,14-15,17-18,20-21,23-26,28H,4,7,10,13,16,19,22,27H2,1-3H3,(H,32,33)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-
InChIKeyUNLAVYVDNNBOJF-YNUSHXQLSA-N
XLogP9.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.69
LogP ≤ 59.23
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)-N-(2-propan-2-ylphenyl)docosa-4,7,10,13,16,19-hexaenamide?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-propan-2-ylphenyl)docosa-4,7,10,13,16,19-hexaenamide (CID 56659250) is (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-propan-2-ylphenyl)docosa-4,7,10,13,16,19-hexaenamide.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-propan-2-ylphenyl)docosa-4,7,10,13,16,19-hexaenamide?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-propan-2-ylphenyl)docosa-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\CCC(=O)Nc1ccccc1C(C)C.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-propan-2-ylphenyl)docosa-4,7,10,13,16,19-hexaenamide?
The InChIKey is UNLAVYVDNNBOJF-YNUSHXQLSA-N. The full InChI is InChI=1S/C31H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-31(33)32-30-26-24-23-25-29(30)28(2)3/h5-6,8-9,11-12,14-15,17-18,20-21,23-26,28H,4,7,10,13,16,19,22,27H2,1-3H3,(H,32,33)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-.
What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-propan-2-ylphenyl)docosa-4,7,10,13,16,19-hexaenamide?
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-propan-2-ylphenyl)docosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 445.69 g/mol, XLogP of 9.23, 16 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)-N-(2-propan-2-ylphenyl)docosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 56659250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).