(5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide;bis((5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide);(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide

C105H172N4O4 — CID 157422362

IUPAC(5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide;bis((5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide);(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC(C(C)(C)C)(C1)C2.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC(C)(C1)C2.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC(C)(C1)C2.CCCCCCCC/C=C\CCCCCCCC(=O)NC12CC(C)(C1)C2
InChIInChI=1S/C29H47NO.2C26H41NO.C24H43NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(31)30-29-23-28(24-29,25-29)27(2,3)4;2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(28)27-26-21-25(2,22-26)23-26;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)25-24-19-23(2,20-24)21-24/h9-10,12-13,15-16,18-19H,5-8,11,14,17,20-25H2,1-4H3,(H,30,31);2*7-8,10-11,13-14,16-17H,3-6,9,12,15,18-23H2,1-2H3,(H,27,28);10-11H,3-9,12-21H2,1-2H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-;2*8-7-,11-10-,14-13-,17-16-;11-10-
InChIKeyBPOFMQAASAIPJN-VAJNILAOSA-N
MW1554.55 g/mol
LogP29.68
Rot. Bonds61

About (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide;bis((5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide);(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide

(5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide;bis((5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide);(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide (PubChem CID 157422362) has the molecular formula C105H172N4O4 and a molecular weight of 1554.55 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide;bis((5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide);(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide;bis((5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide);(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide
PubChem CID157422362
Molecular FormulaC105H172N4O4
Molecular Weight1554.55 g/mol
Exact Mass1553.34
IUPAC Name(5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide;bis((5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide);(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC(C(C)(C)C)(C1)C2.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC(C)(C1)C2.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC(C)(C1)C2.CCCCCCCC/C=C\CCCCCCCC(=O)NC12CC(C)(C1)C2
InChIInChI=1S/C29H47NO.2C26H41NO.C24H43NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(31)30-29-23-28(24-29,25-29)27(2,3)4;2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(28)27-26-21-25(2,22-26)23-26;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)25-24-19-23(2,20-24)21-24/h9-10,12-13,15-16,18-19H,5-8,11,14,17,20-25H2,1-4H3,(H,30,31);2*7-8,10-11,13-14,16-17H,3-6,9,12,15,18-23H2,1-2H3,(H,27,28);10-11H,3-9,12-21H2,1-2H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-;2*8-7-,11-10-,14-13-,17-16-;11-10-
InChIKeyBPOFMQAASAIPJN-VAJNILAOSA-N
XLogP29.68
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds61
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001554.55
LogP ≤ 529.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide;bis((5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide);(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide with MolForge

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Related Compounds

(Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide
CID 118941239
(5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide
CID 118941241
(2E)-1-N,5-N-ditert-butyl-1-methylcyclooct-2-ene-1,5-dicarboxamide
CID 122495763
N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide;N-tert-butyl-2-propan-2-ylhexanamide;N,2-ditert-butylhexanamide;N,2-ditert-butylhex-5-enamide
CID 157977415
(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide
CID 158410230
(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide;N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide;N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-4-enamide
CID 158592832
N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-propan-2-ylhexanamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhexanamide;N,2-ditert-butylhex-5-enamide
CID 159215890
N-tert-butyl-2-(cyclobutylmethyl)pent-4-enamide;N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pent-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide
CID 159389278
(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide;N-tert-butyl-2-propan-2-ylpent-4-enamide;N,2-ditert-butylpent-4-enamide
CID 159525077
(2S,3R)-2-[(E)-but-2-enyl]-N'-tert-butyl-3-(cyclobutylmethyl)butanediamide;methane
CID 159568818
(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-(cyclobutylmethyl)hex-4-enamide;N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide;(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide;(E)-N-tert-butyl-2-[(2-methylcyclopropyl)methyl]hex-4-enamide;(E)-N-tert-butyl-2-propan-2-ylhex-4-enamide;(E)-N,2-ditert-butylhex-4-enamide
CID 161862324

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide;bis((5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide);(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide;bis((5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide);(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide (CID 157422362) is (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide;bis((5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide);(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide;bis((5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide);(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide;bis((5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide);(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC(C(C)(C)C)(C1)C2.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC(C)(C1)C2.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC(C)(C1)C2.CCCCCCCC/C=C\CCCCCCCC(=O)NC12CC(C)(C1)C2.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide;bis((5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide);(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide?
The InChIKey is BPOFMQAASAIPJN-VAJNILAOSA-N. The full InChI is InChI=1S/C29H47NO.2C26H41NO.C24H43NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(31)30-29-23-28(24-29,25-29)27(2,3)4;2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(28)27-26-21-25(2,22-26)23-26;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)25-24-19-23(2,20-24)21-24/h9-10,12-13,15-16,18-19H,5-8,11,14,17,20-25H2,1-4H3,(H,30,31);2*7-8,10-11,13-14,16-17H,3-6,9,12,15,18-23H2,1-2H3,(H,27,28);10-11H,3-9,12-21H2,1-2H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-;2*8-7-,11-10-,14-13-,17-16-;11-10-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide;bis((5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide);(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide?
(5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide;bis((5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide);(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide has a molecular weight of 1554.55 g/mol, XLogP of 29.68, 61 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide;bis((5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide);(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide is sourced from PubChem (CID 157422362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).