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

C14H20N2O4 — CID 4091101

IUPACN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)NN=Cc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C14H20N2O4/c1-4-5-6-13(17)16-15-9-10-7-11(19-2)14(18)12(8-10)20-3/h7-9,18H,4-6H2,1-3H3,(H,16,17)
InChIKeyDKDMJMVIEXTNDN-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.05
Rot. Bonds7

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

N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]pentanamide (PubChem CID 4091101) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]pentanamide
PubChem CID4091101
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)NN=Cc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C14H20N2O4/c1-4-5-6-13(17)16-15-9-10-7-11(19-2)14(18)12(8-10)20-3/h7-9,18H,4-6H2,1-3H3,(H,16,17)
InChIKeyDKDMJMVIEXTNDN-UHFFFAOYSA-N
XLogP2.05
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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]pentanamide?
The IUPAC name of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]pentanamide (CID 4091101) is N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]pentanamide.
What is the SMILES notation for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]pentanamide?
The canonical SMILES for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]pentanamide is CCCCC(=O)NN=Cc1cc(OC)c(O)c(OC)c1.
What is the InChIKey of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]pentanamide?
The InChIKey is DKDMJMVIEXTNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-5-6-13(17)16-15-9-10-7-11(19-2)14(18)12(8-10)20-3/h7-9,18H,4-6H2,1-3H3,(H,16,17).
What are the key properties of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]pentanamide?
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]pentanamide has a molecular weight of 280.32 g/mol, XLogP of 2.05, 7 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]pentanamide is sourced from PubChem (CID 4091101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).