(8Z,14Z)-docosa-8,14-dien-5,11-diynamide

C22H33NO — CID 88691816

IUPAC(8Z,14Z)-docosa-8,14-dien-5,11-diynamide
SMILESCCCCCCC/C=C\CC#CC/C=C\CC#CCCCC(N)=O
InChIInChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h8-9,14-15H,2-7,10,13,16,19-21H2,1H3,(H2,23,24)/b9-8-,15-14-
InChIKeyMZMQJXKNGUDEMV-FMUMETBJSA-N
MW327.51 g/mol
LogP5.29
Rot. Bonds12

About (8Z,14Z)-docosa-8,14-dien-5,11-diynamide

(8Z,14Z)-docosa-8,14-dien-5,11-diynamide (PubChem CID 88691816) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is (8Z,14Z)-docosa-8,14-dien-5,11-diynamide.

Molecular Properties

Compound Name(8Z,14Z)-docosa-8,14-dien-5,11-diynamide
PubChem CID88691816
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Name(8Z,14Z)-docosa-8,14-dien-5,11-diynamide
SMILESCCCCCCC/C=C\CC#CC/C=C\CC#CCCCC(N)=O
InChIInChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h8-9,14-15H,2-7,10,13,16,19-21H2,1H3,(H2,23,24)/b9-8-,15-14-
InChIKeyMZMQJXKNGUDEMV-FMUMETBJSA-N
XLogP5.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 55.29
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 57212690
(Z)-tricos-15-enamide
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(Z)-(113C)octadec-9-enamide
CID 175811454
icosa-8,11,14-trien-5-ynoic acid
CID 1777
(Z)-octadec-9-enamide;platinum
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(Z)-octadec-9-enamide;hydrobromide
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indigane;(Z)-octadec-9-enamide
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(Z)-pentadec-6-en-9-yne
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Frequently Asked Questions

What is the IUPAC name of (8Z,14Z)-docosa-8,14-dien-5,11-diynamide?
The IUPAC name of (8Z,14Z)-docosa-8,14-dien-5,11-diynamide (CID 88691816) is (8Z,14Z)-docosa-8,14-dien-5,11-diynamide.
What is the SMILES notation for (8Z,14Z)-docosa-8,14-dien-5,11-diynamide?
The canonical SMILES for (8Z,14Z)-docosa-8,14-dien-5,11-diynamide is CCCCCCC/C=C\CC#CC/C=C\CC#CCCCC(N)=O.
What is the InChIKey of (8Z,14Z)-docosa-8,14-dien-5,11-diynamide?
The InChIKey is MZMQJXKNGUDEMV-FMUMETBJSA-N. The full InChI is InChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h8-9,14-15H,2-7,10,13,16,19-21H2,1H3,(H2,23,24)/b9-8-,15-14-.
What are the key properties of (8Z,14Z)-docosa-8,14-dien-5,11-diynamide?
(8Z,14Z)-docosa-8,14-dien-5,11-diynamide has a molecular weight of 327.51 g/mol, XLogP of 5.29, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,14Z)-docosa-8,14-dien-5,11-diynamide is sourced from PubChem (CID 88691816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).