N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]undecanamide

C20H32N2O4 — CID 4077322

IUPACN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]undecanamide
SMILESCCCCCCCCCCC(=O)NN=Cc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C20H32N2O4/c1-4-5-6-7-8-9-10-11-12-19(23)22-21-15-16-13-17(25-2)20(24)18(14-16)26-3/h13-15,24H,4-12H2,1-3H3,(H,22,23)
InChIKeyMIMXWAWLROHJRH-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.39
Rot. Bonds13

About N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]undecanamide

N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]undecanamide (PubChem CID 4077322) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]undecanamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]undecanamide
PubChem CID4077322
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC NameN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]undecanamide
SMILESCCCCCCCCCCC(=O)NN=Cc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C20H32N2O4/c1-4-5-6-7-8-9-10-11-12-19(23)22-21-15-16-13-17(25-2)20(24)18(14-16)26-3/h13-15,24H,4-12H2,1-3H3,(H,22,23)
InChIKeyMIMXWAWLROHJRH-UHFFFAOYSA-N
XLogP4.39
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]undecanamide?
The IUPAC name of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]undecanamide (CID 4077322) is N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]undecanamide.
What is the SMILES notation for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]undecanamide?
The canonical SMILES for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]undecanamide is CCCCCCCCCCC(=O)NN=Cc1cc(OC)c(O)c(OC)c1.
What is the InChIKey of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]undecanamide?
The InChIKey is MIMXWAWLROHJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-4-5-6-7-8-9-10-11-12-19(23)22-21-15-16-13-17(25-2)20(24)18(14-16)26-3/h13-15,24H,4-12H2,1-3H3,(H,22,23).
What are the key properties of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]undecanamide?
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]undecanamide has a molecular weight of 364.49 g/mol, XLogP of 4.39, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]undecanamide is sourced from PubChem (CID 4077322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).