2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide

C27H45NO3 — CID 57346587

IUPAC2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide
SMILESCCCCCCCCC=CCCCCCCCCC(C(N)=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27(28)30)23-20-21-25(29)26(22-23)31-2/h10-11,20-22,24,29H,3-9,12-19H2,1-2H3,(H2,28,30)
InChIKeyJFPHSRCDTFVLLE-UHFFFAOYSA-N
MW431.66 g/mol
LogP7.40
Rot. Bonds19

About 2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide

2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide (PubChem CID 57346587) has the molecular formula C27H45NO3 and a molecular weight of 431.66 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide
PubChem CID57346587
Molecular FormulaC27H45NO3
Molecular Weight431.66 g/mol
Exact Mass431.34
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide
SMILESCCCCCCCCC=CCCCCCCCCC(C(N)=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27(28)30)23-20-21-25(29)26(22-23)31-2/h10-11,20-22,24,29H,3-9,12-19H2,1-2H3,(H2,28,30)
InChIKeyJFPHSRCDTFVLLE-UHFFFAOYSA-N
XLogP7.40
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.66
LogP ≤ 57.40
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'}

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Related Compounds

2-(4-hydroxy-3-methoxyphenyl)-N-[(E)-nonadec-9-en-2-yl]propanamide
CID 70402625
N-hydroxy-2-(4-hydroxy-3-methoxyphenyl)decanamide
CID 123800302
2-(3-hydroxyphenyl)icos-11-enamide
CID 70479250
4-(1-hydroxyheptyl)-2-methoxyphenol
CID 14035097
2-[4-(1-amino-1-oxooctadecan-2-yl)phenyl]octadecanamide
CID 18459559
2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide
CID 123770580
1-(4-hydroxy-3-methoxyphenyl)nonadec-10-en-1-one
CID 68578323
2-[(4-hydroxy-3-methoxyphenyl)methyl]decanamide
CID 68625712
N-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 57250205
4-hydroxy-3-methoxybenzamide;nonane
CID 174831625
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
1-(4-hydroxy-3-methoxyphenyl)-2-(7-hydroxynaphthalen-2-yl)dec-4-en-3-one
CID 162826227

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide (CID 57346587) is 2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide is CCCCCCCCC=CCCCCCCCCC(C(N)=O)c1ccc(O)c(OC)c1.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide?
The InChIKey is JFPHSRCDTFVLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27(28)30)23-20-21-25(29)26(22-23)31-2/h10-11,20-22,24,29H,3-9,12-19H2,1-2H3,(H2,28,30).
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide?
2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide has a molecular weight of 431.66 g/mol, XLogP of 7.40, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide is sourced from PubChem (CID 57346587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).