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

C18H28N2O4 — CID 3559237

IUPACN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]nonanamide
SMILESCCCCCCCCC(=O)NN=Cc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C18H28N2O4/c1-4-5-6-7-8-9-10-17(21)20-19-13-14-11-15(23-2)18(22)16(12-14)24-3/h11-13,22H,4-10H2,1-3H3,(H,20,21)
InChIKeyKTAAFDRLDZTIIH-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.61
Rot. Bonds11

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

N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]nonanamide (PubChem CID 3559237) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]nonanamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]nonanamide
PubChem CID3559237
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]nonanamide
SMILESCCCCCCCCC(=O)NN=Cc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C18H28N2O4/c1-4-5-6-7-8-9-10-17(21)20-19-13-14-11-15(23-2)18(22)16(12-14)24-3/h11-13,22H,4-10H2,1-3H3,(H,20,21)
InChIKeyKTAAFDRLDZTIIH-UHFFFAOYSA-N
XLogP3.61
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.61
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]nonanamide?
The IUPAC name of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]nonanamide (CID 3559237) is N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]nonanamide.
What is the SMILES notation for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]nonanamide?
The canonical SMILES for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]nonanamide is CCCCCCCCC(=O)NN=Cc1cc(OC)c(O)c(OC)c1.
What is the InChIKey of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]nonanamide?
The InChIKey is KTAAFDRLDZTIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-4-5-6-7-8-9-10-17(21)20-19-13-14-11-15(23-2)18(22)16(12-14)24-3/h11-13,22H,4-10H2,1-3H3,(H,20,21).
What are the key properties of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]nonanamide?
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]nonanamide has a molecular weight of 336.43 g/mol, XLogP of 3.61, 11 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]nonanamide is sourced from PubChem (CID 3559237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).