icosa-2,5,8,11,14,17-hexaenamide

C20H29NO — CID 91451907

IUPACicosa-2,5,8,11,14,17-hexaenamide
SMILESCCC=CCC=CCC=CCC=CCC=CCC=CC(N)=O
InChIInChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17H2,1H3,(H2,21,22)
InChIKeyMMOPVGIKPQTCAN-UHFFFAOYSA-N
MW299.46 g/mol
LogP5.17
Rot. Bonds12

About icosa-2,5,8,11,14,17-hexaenamide

icosa-2,5,8,11,14,17-hexaenamide (PubChem CID 91451907) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is icosa-2,5,8,11,14,17-hexaenamide.

Molecular Properties

Compound Nameicosa-2,5,8,11,14,17-hexaenamide
PubChem CID91451907
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Nameicosa-2,5,8,11,14,17-hexaenamide
SMILESCCC=CCC=CCC=CCC=CCC=CCC=CC(N)=O
InChIInChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17H2,1H3,(H2,21,22)
InChIKeyMMOPVGIKPQTCAN-UHFFFAOYSA-N
XLogP5.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

acetamide;hepta-2,5-dienediamide
CID 174662620
(2Z)-nona-2,6-dienamide
CID 87394391
(2E,8Z)-undeca-2,8-dienamide
CID 87669666
carbamic acid;(Z)-hex-3-ene
CID 158256779
carbamic acid;hex-3-ene
CID 175321124
hepta-2,5-dienediamide;prop-2-enoic acid
CID 159289765
(E)-hex-2-enamide;hydrochloride
CID 141291310
deca-2,4,7-trienoic acid
CID 54400863
methyl (2Z,5Z,8Z,11Z,14Z,17Z)-icosa-2,5,8,11,14,17-hexaenoate
CID 10734062
pentadeca-3,6,9,12-tetraene
CID 123748490
icosa-5,8,11,14,17-pentaenamide
CID 160981167
4-aminobut-2-enamide;hydrochloride
CID 171148089

Frequently Asked Questions

What is the IUPAC name of icosa-2,5,8,11,14,17-hexaenamide?
The IUPAC name of icosa-2,5,8,11,14,17-hexaenamide (CID 91451907) is icosa-2,5,8,11,14,17-hexaenamide.
What is the SMILES notation for icosa-2,5,8,11,14,17-hexaenamide?
The canonical SMILES for icosa-2,5,8,11,14,17-hexaenamide is CCC=CCC=CCC=CCC=CCC=CCC=CC(N)=O.
What is the InChIKey of icosa-2,5,8,11,14,17-hexaenamide?
The InChIKey is MMOPVGIKPQTCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17H2,1H3,(H2,21,22).
What are the key properties of icosa-2,5,8,11,14,17-hexaenamide?
icosa-2,5,8,11,14,17-hexaenamide has a molecular weight of 299.46 g/mol, XLogP of 5.17, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-2,5,8,11,14,17-hexaenamide is sourced from PubChem (CID 91451907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).