N-(18-hydroxyoctadecyl)-2-methylprop-2-enamide

C22H43NO2 — CID 54486699

IUPACN-(18-hydroxyoctadecyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C22H43NO2/c1-21(2)22(25)23-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-24/h24H,1,3-20H2,2H3,(H,23,25)
InChIKeyXSUXQEQHLUNGGC-UHFFFAOYSA-N
MW353.59 g/mol
LogP5.91
Rot. Bonds19

About N-(18-hydroxyoctadecyl)-2-methylprop-2-enamide

N-(18-hydroxyoctadecyl)-2-methylprop-2-enamide (PubChem CID 54486699) has the molecular formula C22H43NO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is N-(18-hydroxyoctadecyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(18-hydroxyoctadecyl)-2-methylprop-2-enamide
PubChem CID54486699
Molecular FormulaC22H43NO2
Molecular Weight353.59 g/mol
Exact Mass353.33
IUPAC NameN-(18-hydroxyoctadecyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C22H43NO2/c1-21(2)22(25)23-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-24/h24H,1,3-20H2,2H3,(H,23,25)
InChIKeyXSUXQEQHLUNGGC-UHFFFAOYSA-N
XLogP5.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(18-hydroxyoctadecyl)-2-methylprop-2-enamide?
The IUPAC name of N-(18-hydroxyoctadecyl)-2-methylprop-2-enamide (CID 54486699) is N-(18-hydroxyoctadecyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(18-hydroxyoctadecyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(18-hydroxyoctadecyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCCCCCCCCCCCCCCCCCO.
What is the InChIKey of N-(18-hydroxyoctadecyl)-2-methylprop-2-enamide?
The InChIKey is XSUXQEQHLUNGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO2/c1-21(2)22(25)23-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-24/h24H,1,3-20H2,2H3,(H,23,25).
What are the key properties of N-(18-hydroxyoctadecyl)-2-methylprop-2-enamide?
N-(18-hydroxyoctadecyl)-2-methylprop-2-enamide has a molecular weight of 353.59 g/mol, XLogP of 5.91, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(18-hydroxyoctadecyl)-2-methylprop-2-enamide is sourced from PubChem (CID 54486699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).