(5Z,8Z,11Z,14Z)-N-(3-methylbutyl)icosa-5,8,11,14-tetraenamide

C25H43NO — CID 5283399

IUPAC(5Z,8Z,11Z,14Z)-N-(3-methylbutyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC(C)C
InChIInChI=1S/C25H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)26-23-22-24(2)3/h8-9,11-12,14-15,17-18,24H,4-7,10,13,16,19-23H2,1-3H3,(H,26,27)/b9-8-,12-11-,15-14-,18-17-
InChIKeyHKYAUSBRNXNKIW-GKFVBPDJSA-N
MW373.63 g/mol
LogP7.29
Rot. Bonds17

About (5Z,8Z,11Z,14Z)-N-(3-methylbutyl)icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(3-methylbutyl)icosa-5,8,11,14-tetraenamide (PubChem CID 5283399) has the molecular formula C25H43NO and a molecular weight of 373.63 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(3-methylbutyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(3-methylbutyl)icosa-5,8,11,14-tetraenamide
PubChem CID5283399
Molecular FormulaC25H43NO
Molecular Weight373.63 g/mol
Exact Mass373.33
IUPAC Name(5Z,8Z,11Z,14Z)-N-(3-methylbutyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC(C)C
InChIInChI=1S/C25H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)26-23-22-24(2)3/h8-9,11-12,14-15,17-18,24H,4-7,10,13,16,19-23H2,1-3H3,(H,26,27)/b9-8-,12-11-,15-14-,18-17-
InChIKeyHKYAUSBRNXNKIW-GKFVBPDJSA-N
XLogP7.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.63
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(3-methylbutyl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(3-methylbutyl)icosa-5,8,11,14-tetraenamide (CID 5283399) is (5Z,8Z,11Z,14Z)-N-(3-methylbutyl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(3-methylbutyl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(3-methylbutyl)icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC(C)C.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(3-methylbutyl)icosa-5,8,11,14-tetraenamide?
The InChIKey is HKYAUSBRNXNKIW-GKFVBPDJSA-N. The full InChI is InChI=1S/C25H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)26-23-22-24(2)3/h8-9,11-12,14-15,17-18,24H,4-7,10,13,16,19-23H2,1-3H3,(H,26,27)/b9-8-,12-11-,15-14-,18-17-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(3-methylbutyl)icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(3-methylbutyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 373.63 g/mol, XLogP of 7.29, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-(3-methylbutyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 5283399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).