icosa-5,8,11,14,17-pentaenamide

C40H62N2O2 — CID 160981167

IUPACicosa-5,8,11,14,17-pentaenamide
SMILESCCC=CCC=CCC=CCC=CCC=CCCCC(N)=O.CCC=CCC=CCC=CCC=CCC=CCCCC(N)=O
InChIInChI=1S/2C20H31NO/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2*3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H2,21,22)
InChIKeySZNNJNRRAQTMQF-UHFFFAOYSA-N
MW602.95 g/mol
LogP10.79
Rot. Bonds26

About icosa-5,8,11,14,17-pentaenamide

icosa-5,8,11,14,17-pentaenamide (PubChem CID 160981167) has the molecular formula C40H62N2O2 and a molecular weight of 602.95 g/mol. Its IUPAC name is icosa-5,8,11,14,17-pentaenamide.

Molecular Properties

Compound Nameicosa-5,8,11,14,17-pentaenamide
PubChem CID160981167
Molecular FormulaC40H62N2O2
Molecular Weight602.95 g/mol
Exact Mass602.48
IUPAC Nameicosa-5,8,11,14,17-pentaenamide
SMILESCCC=CCC=CCC=CCC=CCC=CCCCC(N)=O.CCC=CCC=CCC=CCC=CCC=CCCCC(N)=O
InChIInChI=1S/2C20H31NO/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2*3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H2,21,22)
InChIKeySZNNJNRRAQTMQF-UHFFFAOYSA-N
XLogP10.79
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.95
LogP ≤ 510.79
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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Related Compounds

octadec-15-enamide
CID 54276805
(5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid
CID 118863896
(8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one
CID 158915698
ethyl (5Z,8E,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 172866485
ethyl (5Z,8Z,11E,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 169439998
2-aminoacetic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid
CID 42605524
octatriaconta-9,12,26,29-tetraenediamide
CID 154085850
heptatriaconta-9,12,25,28-tetraenediamide
CID 154187991
tricosa-5,8,11,14,17,20-hexaenoyl tricosa-5,8,11,14,17,20-hexaenoate
CID 154134674
tricosa-7,10,18-trienamide
CID 90687362
(5Z,8Z,11Z,14Z,17Z)-N-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide
CID 53374375
methyl (5E,8E)-undeca-5,8-dienoate
CID 102118348

Frequently Asked Questions

What is the IUPAC name of icosa-5,8,11,14,17-pentaenamide?
The IUPAC name of icosa-5,8,11,14,17-pentaenamide (CID 160981167) is icosa-5,8,11,14,17-pentaenamide.
What is the SMILES notation for icosa-5,8,11,14,17-pentaenamide?
The canonical SMILES for icosa-5,8,11,14,17-pentaenamide is CCC=CCC=CCC=CCC=CCC=CCCCC(N)=O.CCC=CCC=CCC=CCC=CCC=CCCCC(N)=O.
What is the InChIKey of icosa-5,8,11,14,17-pentaenamide?
The InChIKey is SZNNJNRRAQTMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H31NO/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2*3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H2,21,22).
What are the key properties of icosa-5,8,11,14,17-pentaenamide?
icosa-5,8,11,14,17-pentaenamide has a molecular weight of 602.95 g/mol, XLogP of 10.79, 26 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-5,8,11,14,17-pentaenamide is sourced from PubChem (CID 160981167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).