(9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide

C26H41NO — CID 71588891

IUPAC(9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide
SMILESCCCCC/C=C/C/C=C\CCCCCCCC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C26H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)27-24(2)25-21-18-17-19-22-25/h7-8,10-11,17-19,21-22,24H,3-6,9,12-16,20,23H2,1-2H3,(H,27,28)/b8-7+,11-10-/t24-/m1/s1
InChIKeyRWIUTHWKQHRQNP-JLPJQUSQSA-N
MW383.62 g/mol
LogP7.68
Rot. Bonds16

About (9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide

(9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide (PubChem CID 71588891) has the molecular formula C26H41NO and a molecular weight of 383.62 g/mol. Its IUPAC name is (9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide.

Molecular Properties

Compound Name(9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide
PubChem CID71588891
Molecular FormulaC26H41NO
Molecular Weight383.62 g/mol
Exact Mass383.32
IUPAC Name(9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide
SMILESCCCCC/C=C/C/C=C\CCCCCCCC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C26H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)27-24(2)25-21-18-17-19-22-25/h7-8,10-11,17-19,21-22,24H,3-6,9,12-16,20,23H2,1-2H3,(H,27,28)/b8-7+,11-10-/t24-/m1/s1
InChIKeyRWIUTHWKQHRQNP-JLPJQUSQSA-N
XLogP7.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 57.68
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 (9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide with MolForge

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Related Compounds

2,3,4,5,6-pentachlorophenol;(9Z,12Z)-N-(1-phenylethyl)octadeca-9,12-dienamide
CID 90344392
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide
CID 74954423
(9Z,12Z)-N-[(1S)-2-(4-methylphenyl)-1-phenylethyl]octadeca-9,12-dienamide
CID 6436044
(5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide
CID 11543858
(Z)-N-(1-phenylethyl)icos-11-en-2-ynamide
CID 70506043
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide
CID 101078871
N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 71684357
[(2S)-2-[[(Z)-heptadec-8-enoyl]amino]-2-phenylethyl] dihydrogen phosphate
CID 11408727
(2S)-2-[[(11Z,14Z)-icosa-11,14-dienoyl]amino]-4-methylpentanoic acid
CID 171116894
3-methyl-2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]pentanoic acid
CID 156963047

Frequently Asked Questions

What is the IUPAC name of (9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide?
The IUPAC name of (9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide (CID 71588891) is (9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide.
What is the SMILES notation for (9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide?
The canonical SMILES for (9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide is CCCCC/C=C/C/C=C\CCCCCCCC(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of (9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide?
The InChIKey is RWIUTHWKQHRQNP-JLPJQUSQSA-N. The full InChI is InChI=1S/C26H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)27-24(2)25-21-18-17-19-22-25/h7-8,10-11,17-19,21-22,24H,3-6,9,12-16,20,23H2,1-2H3,(H,27,28)/b8-7+,11-10-/t24-/m1/s1.
What are the key properties of (9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide?
(9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide has a molecular weight of 383.62 g/mol, XLogP of 7.68, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide is sourced from PubChem (CID 71588891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).