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

C16H24N2O4 — CID 3761936

IUPACN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]heptanamide
SMILESCCCCCCC(=O)NN=Cc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C16H24N2O4/c1-4-5-6-7-8-15(19)18-17-11-12-9-13(21-2)16(20)14(10-12)22-3/h9-11,20H,4-8H2,1-3H3,(H,18,19)
InChIKeyXBFHGGSQIIUYRQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.83
Rot. Bonds9

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

N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]heptanamide (PubChem CID 3761936) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]heptanamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]heptanamide
PubChem CID3761936
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]heptanamide
SMILESCCCCCCC(=O)NN=Cc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C16H24N2O4/c1-4-5-6-7-8-15(19)18-17-11-12-9-13(21-2)16(20)14(10-12)22-3/h9-11,20H,4-8H2,1-3H3,(H,18,19)
InChIKeyXBFHGGSQIIUYRQ-UHFFFAOYSA-N
XLogP2.83
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.83
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]heptanamide?
The IUPAC name of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]heptanamide (CID 3761936) is N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]heptanamide.
What is the SMILES notation for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]heptanamide?
The canonical SMILES for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]heptanamide is CCCCCCC(=O)NN=Cc1cc(OC)c(O)c(OC)c1.
What is the InChIKey of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]heptanamide?
The InChIKey is XBFHGGSQIIUYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-4-5-6-7-8-15(19)18-17-11-12-9-13(21-2)16(20)14(10-12)22-3/h9-11,20H,4-8H2,1-3H3,(H,18,19).
What are the key properties of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]heptanamide?
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]heptanamide has a molecular weight of 308.38 g/mol, XLogP of 2.83, 9 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]heptanamide is sourced from PubChem (CID 3761936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).