(5Z,8Z)-N-[(2R)-1-hydroxypropan-2-yl]-11-[3-(2-methyloctan-2-yl)phenoxy]undeca-5,8-dienamide

C29H47NO3 — CID 24809843

IUPAC(5Z,8Z)-N-[(2R)-1-hydroxypropan-2-yl]-11-[3-(2-methyloctan-2-yl)phenoxy]undeca-5,8-dienamide
SMILESCCCCCCC(C)(C)c1cccc(OCC/C=C\C/C=C\CCCC(=O)N[C@H](C)CO)c1
InChIInChI=1S/C29H47NO3/c1-5-6-7-15-21-29(3,4)26-18-17-19-27(23-26)33-22-16-13-11-9-8-10-12-14-20-28(32)30-25(2)24-31/h8,10-11,13,17-19,23,25,31H,5-7,9,12,14-16,20-22,24H2,1-4H3,(H,30,32)/b10-8-,13-11-/t25-/m1/s1
InChIKeyAMYLHZCZJGVTFT-IGNCQIMGSA-N
MW457.70 g/mol
LogP6.87
Rot. Bonds18

About (5Z,8Z)-N-[(2R)-1-hydroxypropan-2-yl]-11-[3-(2-methyloctan-2-yl)phenoxy]undeca-5,8-dienamide

(5Z,8Z)-N-[(2R)-1-hydroxypropan-2-yl]-11-[3-(2-methyloctan-2-yl)phenoxy]undeca-5,8-dienamide (PubChem CID 24809843) has the molecular formula C29H47NO3 and a molecular weight of 457.70 g/mol. Its IUPAC name is (5Z,8Z)-N-[(2R)-1-hydroxypropan-2-yl]-11-[3-(2-methyloctan-2-yl)phenoxy]undeca-5,8-dienamide.

Molecular Properties

Compound Name(5Z,8Z)-N-[(2R)-1-hydroxypropan-2-yl]-11-[3-(2-methyloctan-2-yl)phenoxy]undeca-5,8-dienamide
PubChem CID24809843
Molecular FormulaC29H47NO3
Molecular Weight457.70 g/mol
Exact Mass457.36
IUPAC Name(5Z,8Z)-N-[(2R)-1-hydroxypropan-2-yl]-11-[3-(2-methyloctan-2-yl)phenoxy]undeca-5,8-dienamide
SMILESCCCCCCC(C)(C)c1cccc(OCC/C=C\C/C=C\CCCC(=O)N[C@H](C)CO)c1
InChIInChI=1S/C29H47NO3/c1-5-6-7-15-21-29(3,4)26-18-17-19-27(23-26)33-22-16-13-11-9-8-10-12-14-20-28(32)30-25(2)24-31/h8,10-11,13,17-19,23,25,31H,5-7,9,12,14-16,20-22,24H2,1-4H3,(H,30,32)/b10-8-,13-11-/t25-/m1/s1
InChIKeyAMYLHZCZJGVTFT-IGNCQIMGSA-N
XLogP6.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.70
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z,8Z)-N-[(2R)-1-hydroxypropan-2-yl]-11-[3-(2-methyloctan-2-yl)phenoxy]undeca-5,8-dienamide with MolForge

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Related Compounds

4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide
CID 110901665
(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
CID 53318751
N-(1-hydroxypropan-2-yl)tetracos-15-enamide
CID 173265118
(E)-N-[(2S)-1-hydroxypropan-2-yl]octadec-9-enamide
CID 66509136
(5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide
CID 171042572
(9Z,12Z)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]octadeca-9,12-dienamide
CID 70617360
(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-20-phenylicosa-5,8,11,14-tetraenamide
CID 44563679
(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16-phenylhexadeca-5,8,11,14-tetraenamide
CID 44563658
8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide
CID 118710952
(1-carbamoylcyclopropyl) 8-[3-(2-methyloctan-2-yl)phenoxy]octanoate
CID 91554175
1-[2-(3-tert-butylphenoxy)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 111174535
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z)-N-[(2R)-1-hydroxypropan-2-yl]-11-[3-(2-methyloctan-2-yl)phenoxy]undeca-5,8-dienamide?
The IUPAC name of (5Z,8Z)-N-[(2R)-1-hydroxypropan-2-yl]-11-[3-(2-methyloctan-2-yl)phenoxy]undeca-5,8-dienamide (CID 24809843) is (5Z,8Z)-N-[(2R)-1-hydroxypropan-2-yl]-11-[3-(2-methyloctan-2-yl)phenoxy]undeca-5,8-dienamide.
What is the SMILES notation for (5Z,8Z)-N-[(2R)-1-hydroxypropan-2-yl]-11-[3-(2-methyloctan-2-yl)phenoxy]undeca-5,8-dienamide?
The canonical SMILES for (5Z,8Z)-N-[(2R)-1-hydroxypropan-2-yl]-11-[3-(2-methyloctan-2-yl)phenoxy]undeca-5,8-dienamide is CCCCCCC(C)(C)c1cccc(OCC/C=C\C/C=C\CCCC(=O)N[C@H](C)CO)c1.
What is the InChIKey of (5Z,8Z)-N-[(2R)-1-hydroxypropan-2-yl]-11-[3-(2-methyloctan-2-yl)phenoxy]undeca-5,8-dienamide?
The InChIKey is AMYLHZCZJGVTFT-IGNCQIMGSA-N. The full InChI is InChI=1S/C29H47NO3/c1-5-6-7-15-21-29(3,4)26-18-17-19-27(23-26)33-22-16-13-11-9-8-10-12-14-20-28(32)30-25(2)24-31/h8,10-11,13,17-19,23,25,31H,5-7,9,12,14-16,20-22,24H2,1-4H3,(H,30,32)/b10-8-,13-11-/t25-/m1/s1.
What are the key properties of (5Z,8Z)-N-[(2R)-1-hydroxypropan-2-yl]-11-[3-(2-methyloctan-2-yl)phenoxy]undeca-5,8-dienamide?
(5Z,8Z)-N-[(2R)-1-hydroxypropan-2-yl]-11-[3-(2-methyloctan-2-yl)phenoxy]undeca-5,8-dienamide has a molecular weight of 457.70 g/mol, XLogP of 6.87, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z)-N-[(2R)-1-hydroxypropan-2-yl]-11-[3-(2-methyloctan-2-yl)phenoxy]undeca-5,8-dienamide is sourced from PubChem (CID 24809843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).