2-(3-hydroxyphenyl)icos-11-enamide

C26H43NO2 — CID 70479250

IUPAC2-(3-hydroxyphenyl)icos-11-enamide
SMILESCCCCCCCCC=CCCCCCCCCC(C(N)=O)c1cccc(O)c1
InChIInChI=1S/C26H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(26(27)29)23-19-18-20-24(28)22-23/h9-10,18-20,22,25,28H,2-8,11-17,21H2,1H3,(H2,27,29)
InChIKeyWDJFGOLPWUBPMP-UHFFFAOYSA-N
MW401.64 g/mol
LogP7.39
Rot. Bonds18

About 2-(3-hydroxyphenyl)icos-11-enamide

2-(3-hydroxyphenyl)icos-11-enamide (PubChem CID 70479250) has the molecular formula C26H43NO2 and a molecular weight of 401.64 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)icos-11-enamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)icos-11-enamide
PubChem CID70479250
Molecular FormulaC26H43NO2
Molecular Weight401.64 g/mol
Exact Mass401.33
IUPAC Name2-(3-hydroxyphenyl)icos-11-enamide
SMILESCCCCCCCCC=CCCCCCCCCC(C(N)=O)c1cccc(O)c1
InChIInChI=1S/C26H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(26(27)29)23-19-18-20-24(28)22-23/h9-10,18-20,22,25,28H,2-8,11-17,21H2,1H3,(H2,27,29)
InChIKeyWDJFGOLPWUBPMP-UHFFFAOYSA-N
XLogP7.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 57.39
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

2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide
CID 57346587
2-phenylheptanamide
CID 67221214
2-[4-(1-amino-1-oxooctadecan-2-yl)phenyl]octadecanamide
CID 18459559
3-pentadecan-2-ylphenol
CID 57199867
2-hexadecylicos-11-enamide
CID 173011844
(Z)-2-quinolin-4-yloctadec-9-enamide
CID 122703946
benzene-1,3-diol;bis(2-heptylpropanedioic acid)
CID 70630112
2-methylicosa-11,14-dienamide
CID 175746328
(Z)-2-(4-phenylphenyl)octadec-9-enoic acid
CID 163591600
3-[(1E,4E)-pentadeca-1,4-dienyl]phenol
CID 101292637
(Z)-2-aminooctadec-9-enamide
CID 56663673
(E)-2-methyloctadec-9-enamide
CID 19371032

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)icos-11-enamide?
The IUPAC name of 2-(3-hydroxyphenyl)icos-11-enamide (CID 70479250) is 2-(3-hydroxyphenyl)icos-11-enamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)icos-11-enamide?
The canonical SMILES for 2-(3-hydroxyphenyl)icos-11-enamide is CCCCCCCCC=CCCCCCCCCC(C(N)=O)c1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)icos-11-enamide?
The InChIKey is WDJFGOLPWUBPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(26(27)29)23-19-18-20-24(28)22-23/h9-10,18-20,22,25,28H,2-8,11-17,21H2,1H3,(H2,27,29).
What are the key properties of 2-(3-hydroxyphenyl)icos-11-enamide?
2-(3-hydroxyphenyl)icos-11-enamide has a molecular weight of 401.64 g/mol, XLogP of 7.39, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)icos-11-enamide is sourced from PubChem (CID 70479250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).