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

C17H26N2O4 — CID 3693196

IUPACN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]octanamide
SMILESCCCCCCCC(=O)NN=Cc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C17H26N2O4/c1-4-5-6-7-8-9-16(20)19-18-12-13-10-14(22-2)17(21)15(11-13)23-3/h10-12,21H,4-9H2,1-3H3,(H,19,20)
InChIKeyWVCVFEMNSHCXNC-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.22
Rot. Bonds10

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

N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]octanamide (PubChem CID 3693196) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]octanamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]octanamide
PubChem CID3693196
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]octanamide
SMILESCCCCCCCC(=O)NN=Cc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C17H26N2O4/c1-4-5-6-7-8-9-16(20)19-18-12-13-10-14(22-2)17(21)15(11-13)23-3/h10-12,21H,4-9H2,1-3H3,(H,19,20)
InChIKeyWVCVFEMNSHCXNC-UHFFFAOYSA-N
XLogP3.22
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.22
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]octanamide?
The IUPAC name of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]octanamide (CID 3693196) is N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]octanamide.
What is the SMILES notation for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]octanamide?
The canonical SMILES for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]octanamide is CCCCCCCC(=O)NN=Cc1cc(OC)c(O)c(OC)c1.
What is the InChIKey of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]octanamide?
The InChIKey is WVCVFEMNSHCXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-4-5-6-7-8-9-16(20)19-18-12-13-10-14(22-2)17(21)15(11-13)23-3/h10-12,21H,4-9H2,1-3H3,(H,19,20).
What are the key properties of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]octanamide?
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]octanamide has a molecular weight of 322.41 g/mol, XLogP of 3.22, 10 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]octanamide is sourced from PubChem (CID 3693196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).