(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide

C26H41NO — CID 162516977

IUPAC(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCc1ccccc1
InChIInChI=1S/C26H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(28)27-24-23-25-20-17-16-18-21-25/h6-7,9-10,16-18,20-21H,2-5,8,11-15,19,22-24H2,1H3,(H,27,28)/b7-6-,10-9-
InChIKeyVTTCINWLVDFNTR-HZJYTTRNSA-N
MW383.62 g/mol
LogP7.16
Rot. Bonds17

About (9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide

(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide (PubChem CID 162516977) has the molecular formula C26H41NO and a molecular weight of 383.62 g/mol. Its IUPAC name is (9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide.

Molecular Properties

Compound Name(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide
PubChem CID162516977
Molecular FormulaC26H41NO
Molecular Weight383.62 g/mol
Exact Mass383.32
IUPAC Name(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCc1ccccc1
InChIInChI=1S/C26H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(28)27-24-23-25-20-17-16-18-21-25/h6-7,9-10,16-18,20-21H,2-5,8,11-15,19,22-24H2,1H3,(H,27,28)/b7-6-,10-9-
InChIKeyVTTCINWLVDFNTR-HZJYTTRNSA-N
XLogP7.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 57.16
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,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide with MolForge

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Related Compounds

N-benzyldocos-13-enamide;hydrochloride
CID 173286408
N-(4-phenylbutyl)hexanamide
CID 4985988
(E)-N-benzylhexadec-4-enamide
CID 175178729
N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide
CID 74954423
(Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docos-13-enamide
CID 52918176
N-(2-phenylethyl)undec-10-enamide
CID 3930064
(7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide
CID 171117139
N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
CID 2186
(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
CID 155521217
N-[2-[2-[2-[2-(octadeca-9,12-dienoylamino)ethylamino]ethylamino]ethylamino]ethyl]octadeca-9,12-dienamide
CID 57356255
(9E,11E,13E)-N'-(2-phenylethyl)octadeca-9,11,13-trienehydrazide
CID 6434381
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide?
The IUPAC name of (9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide (CID 162516977) is (9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide.
What is the SMILES notation for (9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide?
The canonical SMILES for (9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide is CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCc1ccccc1.
What is the InChIKey of (9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide?
The InChIKey is VTTCINWLVDFNTR-HZJYTTRNSA-N. The full InChI is InChI=1S/C26H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(28)27-24-23-25-20-17-16-18-21-25/h6-7,9-10,16-18,20-21H,2-5,8,11-15,19,22-24H2,1H3,(H,27,28)/b7-6-,10-9-.
What are the key properties of (9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide?
(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide has a molecular weight of 383.62 g/mol, XLogP of 7.16, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide is sourced from PubChem (CID 162516977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).