(5Z,8Z,11Z,14Z)-2,2-dimethyl-N-propylicosa-5,8,11,14-tetraenamide

C25H43NO — CID 5283417

IUPAC(5Z,8Z,11Z,14Z)-2,2-dimethyl-N-propylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)(C)C(=O)NCCC
InChIInChI=1S/C25H43NO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(3,4)24(27)26-23-6-2/h10-11,13-14,16-17,19-20H,5-9,12,15,18,21-23H2,1-4H3,(H,26,27)/b11-10-,14-13-,17-16-,20-19-
InChIKeyDZZYKVXKTJYUPM-AILJCPQKSA-N
MW373.63 g/mol
LogP7.29
Rot. Bonds16

About (5Z,8Z,11Z,14Z)-2,2-dimethyl-N-propylicosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-2,2-dimethyl-N-propylicosa-5,8,11,14-tetraenamide (PubChem CID 5283417) has the molecular formula C25H43NO and a molecular weight of 373.63 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-2,2-dimethyl-N-propylicosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-2,2-dimethyl-N-propylicosa-5,8,11,14-tetraenamide
PubChem CID5283417
Molecular FormulaC25H43NO
Molecular Weight373.63 g/mol
Exact Mass373.33
IUPAC Name(5Z,8Z,11Z,14Z)-2,2-dimethyl-N-propylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)(C)C(=O)NCCC
InChIInChI=1S/C25H43NO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(3,4)24(27)26-23-6-2/h10-11,13-14,16-17,19-20H,5-9,12,15,18,21-23H2,1-4H3,(H,26,27)/b11-10-,14-13-,17-16-,20-19-
InChIKeyDZZYKVXKTJYUPM-AILJCPQKSA-N
XLogP7.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
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)-2,2-dimethyl-N-propylicosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-2,2-dimethyl-N-propylicosa-5,8,11,14-tetraenamide (CID 5283417) is (5Z,8Z,11Z,14Z)-2,2-dimethyl-N-propylicosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-2,2-dimethyl-N-propylicosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-2,2-dimethyl-N-propylicosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)(C)C(=O)NCCC.
What is the InChIKey of (5Z,8Z,11Z,14Z)-2,2-dimethyl-N-propylicosa-5,8,11,14-tetraenamide?
The InChIKey is DZZYKVXKTJYUPM-AILJCPQKSA-N. The full InChI is InChI=1S/C25H43NO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(3,4)24(27)26-23-6-2/h10-11,13-14,16-17,19-20H,5-9,12,15,18,21-23H2,1-4H3,(H,26,27)/b11-10-,14-13-,17-16-,20-19-.
What are the key properties of (5Z,8Z,11Z,14Z)-2,2-dimethyl-N-propylicosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-2,2-dimethyl-N-propylicosa-5,8,11,14-tetraenamide has a molecular weight of 373.63 g/mol, XLogP of 7.29, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-2,2-dimethyl-N-propylicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 5283417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).