(5Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,11,14-trienamide

C26H43NO — CID 138690570

IUPAC(5Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,11,14-trienamide
SMILESCCCCC/C=C\C/C=C\CCCC/C=C\CCCC(=O)NC12CC(C)(C1)C2
InChIInChI=1S/C26H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(28)27-26-21-25(2,22-26)23-26/h7-8,10-11,16-17H,3-6,9,12-15,18-23H2,1-2H3,(H,27,28)/b8-7-,11-10-,17-16-
InChIKeyBWKMTWHDQRGHQR-DXBQHLCFSA-N
MW385.64 g/mol
LogP7.41
Rot. Bonds16

About (5Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,11,14-trienamide

(5Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,11,14-trienamide (PubChem CID 138690570) has the molecular formula C26H43NO and a molecular weight of 385.64 g/mol. Its IUPAC name is (5Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,11,14-trienamide.

Molecular Properties

Compound Name(5Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,11,14-trienamide
PubChem CID138690570
Molecular FormulaC26H43NO
Molecular Weight385.64 g/mol
Exact Mass385.33
IUPAC Name(5Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,11,14-trienamide
SMILESCCCCC/C=C\C/C=C\CCCC/C=C\CCCC(=O)NC12CC(C)(C1)C2
InChIInChI=1S/C26H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(28)27-26-21-25(2,22-26)23-26/h7-8,10-11,16-17H,3-6,9,12-15,18-23H2,1-2H3,(H,27,28)/b8-7-,11-10-,17-16-
InChIKeyBWKMTWHDQRGHQR-DXBQHLCFSA-N
XLogP7.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.64
LogP ≤ 57.41
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'}

Analyze (5Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,11,14-trienamide with MolForge

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Launch Full Analysis

Related Compounds

N-tert-butyl arachidonoyl amine
CID 5283397
N-(1,1-dimethyl-propyl)arachidonoylamide
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(Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide
CID 118941239
(5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide
CID 118941240
(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide
CID 20790245
(5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide
CID 118941241
(5Z,8Z,11Z,14Z)-N-(1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide
CID 118941242
3,5-dimethyl-N-(2,4,4-trimethylpentan-2-yl)bicyclo[5.1.1]nona-1,6-diene-3-carboxamide
CID 123607408
(Z)-4-ethenyl-N-[(Z,6Z)-6-ethylidene-2,4,4-trimethylnon-7-en-2-yl]hex-4-enamide
CID 130342599
(5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide
CID 159617979
(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-4-enamide
CID 162055397
N-(1-methylcyclohex-3-en-1-yl)spiro[3.3]heptane-2-carboxamide
CID 128923951

Frequently Asked Questions

What is the IUPAC name of (5Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,11,14-trienamide?
The IUPAC name of (5Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,11,14-trienamide (CID 138690570) is (5Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,11,14-trienamide.
What is the SMILES notation for (5Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,11,14-trienamide?
The canonical SMILES for (5Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,11,14-trienamide is CCCCC/C=C\C/C=C\CCCC/C=C\CCCC(=O)NC12CC(C)(C1)C2.
What is the InChIKey of (5Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,11,14-trienamide?
The InChIKey is BWKMTWHDQRGHQR-DXBQHLCFSA-N. The full InChI is InChI=1S/C26H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(28)27-26-21-25(2,22-26)23-26/h7-8,10-11,16-17H,3-6,9,12-15,18-23H2,1-2H3,(H,27,28)/b8-7-,11-10-,17-16-.
What are the key properties of (5Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,11,14-trienamide?
(5Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,11,14-trienamide has a molecular weight of 385.64 g/mol, XLogP of 7.41, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,11,14-trienamide is sourced from PubChem (CID 138690570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).