icosa-8,12-dienediamide

C20H36N2O2 — CID 154110661

IUPACicosa-8,12-dienediamide
SMILESNC(=O)CCCCCCC=CCCC=CCCCCCCC(N)=O
InChIInChI=1S/C20H36N2O2/c21-19(23)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)24/h3-6H,1-2,7-18H2,(H2,21,23)(H2,22,24)
InChIKeyCWNFYTZPNXOUBS-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.53
Rot. Bonds17

About icosa-8,12-dienediamide

icosa-8,12-dienediamide (PubChem CID 154110661) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is icosa-8,12-dienediamide.

Molecular Properties

Compound Nameicosa-8,12-dienediamide
PubChem CID154110661
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Nameicosa-8,12-dienediamide
SMILESNC(=O)CCCCCCC=CCCC=CCCCCCCC(N)=O
InChIInChI=1S/C20H36N2O2/c21-19(23)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)24/h3-6H,1-2,7-18H2,(H2,21,23)(H2,22,24)
InChIKeyCWNFYTZPNXOUBS-UHFFFAOYSA-N
XLogP4.53
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.53
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

hentetraconta-10,31-dienediamide
CID 175604494
dopentaconta-13,39-dienediamide
CID 154089546
(E)-hexadec-8-enediamide
CID 21140246
octatriaconta-9,12,26,29-tetraenediamide
CID 154085850
heptatriaconta-9,12,25,28-tetraenediamide
CID 154187991
octadec-9-enamide
CID 75990485
(Z)-tetratriacont-9-enamide
CID 86624387
octadec-15-enamide
CID 54276805
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
(Z)-(113C)octadec-9-enamide
CID 175811454

Frequently Asked Questions

What is the IUPAC name of icosa-8,12-dienediamide?
The IUPAC name of icosa-8,12-dienediamide (CID 154110661) is icosa-8,12-dienediamide.
What is the SMILES notation for icosa-8,12-dienediamide?
The canonical SMILES for icosa-8,12-dienediamide is NC(=O)CCCCCCC=CCCC=CCCCCCCC(N)=O.
What is the InChIKey of icosa-8,12-dienediamide?
The InChIKey is CWNFYTZPNXOUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c21-19(23)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)24/h3-6H,1-2,7-18H2,(H2,21,23)(H2,22,24).
What are the key properties of icosa-8,12-dienediamide?
icosa-8,12-dienediamide has a molecular weight of 336.52 g/mol, XLogP of 4.53, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-8,12-dienediamide is sourced from PubChem (CID 154110661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).