(5Z,8Z,11Z,14Z)-N-[(1-methylpyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide

C26H40N2O — CID 10157610

IUPAC(5Z,8Z,11Z,14Z)-N-[(1-methylpyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1cccn1C
InChIInChI=1S/C26H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26(29)27-24-25-21-20-23-28(25)2/h7-8,10-11,13-14,16-17,20-21,23H,3-6,9,12,15,18-19,22,24H2,1-2H3,(H,27,29)/b8-7-,11-10-,14-13-,17-16-
InChIKeyOTWYWFGPMVQBOQ-ZKWNWVNESA-N
MW396.62 g/mol
LogP6.79
Rot. Bonds16

About (5Z,8Z,11Z,14Z)-N-[(1-methylpyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-[(1-methylpyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide (PubChem CID 10157610) has the molecular formula C26H40N2O and a molecular weight of 396.62 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-[(1-methylpyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-[(1-methylpyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide
PubChem CID10157610
Molecular FormulaC26H40N2O
Molecular Weight396.62 g/mol
Exact Mass396.31
IUPAC Name(5Z,8Z,11Z,14Z)-N-[(1-methylpyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1cccn1C
InChIInChI=1S/C26H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26(29)27-24-25-21-20-23-28(25)2/h7-8,10-11,13-14,16-17,20-21,23H,3-6,9,12,15,18-19,22,24H2,1-2H3,(H,27,29)/b8-7-,11-10-,14-13-,17-16-
InChIKeyOTWYWFGPMVQBOQ-ZKWNWVNESA-N
XLogP6.79
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 56.79
H-Bond Donors ≤ 51
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-methylpyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-[(1-methylpyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide (CID 10157610) is (5Z,8Z,11Z,14Z)-N-[(1-methylpyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-[(1-methylpyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-[(1-methylpyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1cccn1C.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-[(1-methylpyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide?
The InChIKey is OTWYWFGPMVQBOQ-ZKWNWVNESA-N. The full InChI is InChI=1S/C26H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26(29)27-24-25-21-20-23-28(25)2/h7-8,10-11,13-14,16-17,20-21,23H,3-6,9,12,15,18-19,22,24H2,1-2H3,(H,27,29)/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-[(1-methylpyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-[(1-methylpyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide has a molecular weight of 396.62 g/mol, XLogP of 6.79, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-[(1-methylpyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 10157610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).