(5Z,8Z,11Z,14Z,17Z)-N-[3-(methylamino)propyl]icosa-5,8,11,14,17-pentaenamide

C24H40N2O — CID 118722783

IUPAC(5Z,8Z,11Z,14Z,17Z)-N-[3-(methylamino)propyl]icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCNC
InChIInChI=1S/C24H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)26-23-20-22-25-2/h4-5,7-8,10-11,13-14,16-17,25H,3,6,9,12,15,18-23H2,1-2H3,(H,26,27)/b5-4-,8-7-,11-10-,14-13-,17-16-
InChIKeyNOTVICQSYDNOKG-JEBPEJKESA-N
MW372.60 g/mol
LogP5.63
Rot. Bonds17

About (5Z,8Z,11Z,14Z,17Z)-N-[3-(methylamino)propyl]icosa-5,8,11,14,17-pentaenamide

(5Z,8Z,11Z,14Z,17Z)-N-[3-(methylamino)propyl]icosa-5,8,11,14,17-pentaenamide (PubChem CID 118722783) has the molecular formula C24H40N2O and a molecular weight of 372.60 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z,17Z)-N-[3-(methylamino)propyl]icosa-5,8,11,14,17-pentaenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z,17Z)-N-[3-(methylamino)propyl]icosa-5,8,11,14,17-pentaenamide
PubChem CID118722783
Molecular FormulaC24H40N2O
Molecular Weight372.60 g/mol
Exact Mass372.31
IUPAC Name(5Z,8Z,11Z,14Z,17Z)-N-[3-(methylamino)propyl]icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCNC
InChIInChI=1S/C24H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)26-23-20-22-25-2/h4-5,7-8,10-11,13-14,16-17,25H,3,6,9,12,15,18-23H2,1-2H3,(H,26,27)/b5-4-,8-7-,11-10-,14-13-,17-16-
InChIKeyNOTVICQSYDNOKG-JEBPEJKESA-N
XLogP5.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 55.63
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,17Z)-N-[3-(methylamino)propyl]icosa-5,8,11,14,17-pentaenamide?
The IUPAC name of (5Z,8Z,11Z,14Z,17Z)-N-[3-(methylamino)propyl]icosa-5,8,11,14,17-pentaenamide (CID 118722783) is (5Z,8Z,11Z,14Z,17Z)-N-[3-(methylamino)propyl]icosa-5,8,11,14,17-pentaenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z,17Z)-N-[3-(methylamino)propyl]icosa-5,8,11,14,17-pentaenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z,17Z)-N-[3-(methylamino)propyl]icosa-5,8,11,14,17-pentaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCNC.
What is the InChIKey of (5Z,8Z,11Z,14Z,17Z)-N-[3-(methylamino)propyl]icosa-5,8,11,14,17-pentaenamide?
The InChIKey is NOTVICQSYDNOKG-JEBPEJKESA-N. The full InChI is InChI=1S/C24H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)26-23-20-22-25-2/h4-5,7-8,10-11,13-14,16-17,25H,3,6,9,12,15,18-23H2,1-2H3,(H,26,27)/b5-4-,8-7-,11-10-,14-13-,17-16-.
What are the key properties of (5Z,8Z,11Z,14Z,17Z)-N-[3-(methylamino)propyl]icosa-5,8,11,14,17-pentaenamide?
(5Z,8Z,11Z,14Z,17Z)-N-[3-(methylamino)propyl]icosa-5,8,11,14,17-pentaenamide has a molecular weight of 372.60 g/mol, XLogP of 5.63, 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,17Z)-N-[3-(methylamino)propyl]icosa-5,8,11,14,17-pentaenamide is sourced from PubChem (CID 118722783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).