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

C26H41NO2 — CID 74954423

IUPACN-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide
SMILESCCCCCC=CCC=CCCCCCCCC(=O)NCC(O)c1ccccc1
InChIInChI=1S/C26H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(29)27-23-25(28)24-20-17-16-18-21-24/h6-7,9-10,16-18,20-21,25,28H,2-5,8,11-15,19,22-23H2,1H3,(H,27,29)
InChIKeyLITVVUOVTGUIMV-UHFFFAOYSA-N
MW399.62 g/mol
LogP6.65
Rot. Bonds17

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

N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide (PubChem CID 74954423) has the molecular formula C26H41NO2 and a molecular weight of 399.62 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide
PubChem CID74954423
Molecular FormulaC26H41NO2
Molecular Weight399.62 g/mol
Exact Mass399.31
IUPAC NameN-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide
SMILESCCCCCC=CCC=CCCCCCCCC(=O)NCC(O)c1ccccc1
InChIInChI=1S/C26H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(29)27-23-25(28)24-20-17-16-18-21-24/h6-7,9-10,16-18,20-21,25,28H,2-5,8,11-15,19,22-23H2,1H3,(H,27,29)
InChIKeyLITVVUOVTGUIMV-UHFFFAOYSA-N
XLogP6.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.62
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide
CID 162516977
(9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide
CID 71588891
N-benzyldocos-13-enamide;hydrochloride
CID 173286408
N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide
CID 86076853
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide
CID 71458404
(9Z,12Z)-N-(3-amino-2-hydroxypropyl)octadeca-9,12-dienamide
CID 135070978
N-(2-chloro-2-phenylethyl)decanamide
CID 114295700
N-(2-chloro-2-phenylethyl)heptanamide
CID 114753979
2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]acetic acid
CID 5353808
(E)-N-benzylhexadec-4-enamide
CID 175178729
N-[(octadeca-9,12-dienoylamino)methyl]octadeca-9,12-dienamide
CID 54300441
N-(2-hydroxyoctadecyl)-17-oxotetratriaconta-25,28-dienamide
CID 54549112

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide (CID 74954423) is N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide is CCCCCC=CCC=CCCCCCCCC(=O)NCC(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide?
The InChIKey is LITVVUOVTGUIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(29)27-23-25(28)24-20-17-16-18-21-24/h6-7,9-10,16-18,20-21,25,28H,2-5,8,11-15,19,22-23H2,1H3,(H,27,29).
What are the key properties of N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide?
N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide has a molecular weight of 399.62 g/mol, XLogP of 6.65, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide is sourced from PubChem (CID 74954423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).