N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide

C18H28N2O4 — CID 4657940

IUPACN-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide
SMILESCCCCCCCC(=O)NN=Cc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C18H28N2O4/c1-5-6-7-8-9-10-18(21)20-19-13-14-11-16(23-3)17(24-4)12-15(14)22-2/h11-13H,5-10H2,1-4H3,(H,20,21)
InChIKeyWUTCTWAWRWGPNH-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.52
Rot. Bonds11

About N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide

N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide (PubChem CID 4657940) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide.

Molecular Properties

Compound NameN-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide
PubChem CID4657940
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide
SMILESCCCCCCCC(=O)NN=Cc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C18H28N2O4/c1-5-6-7-8-9-10-18(21)20-19-13-14-11-16(23-3)17(24-4)12-15(14)22-2/h11-13H,5-10H2,1-4H3,(H,20,21)
InChIKeyWUTCTWAWRWGPNH-UHFFFAOYSA-N
XLogP3.52
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

N,N'-bis[(2,4,5-trimethoxyphenyl)methylideneamino]octanediamide
CID 3495405
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide
CID 5334708
N-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide
CID 4181503
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide
CID 51060988
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide
CID 135533696
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide
CID 4127873
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]hexanamide
CID 135458849
6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid
CID 4639552
N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 6260724
[4-bromo-2-[(hexadecanoylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate
CID 3858566
[4-bromo-2-[(tetradecanoylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate
CID 3677989
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide
CID 136806672

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide?
The IUPAC name of N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide (CID 4657940) is N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide.
What is the SMILES notation for N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide?
The canonical SMILES for N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide is CCCCCCCC(=O)NN=Cc1cc(OC)c(OC)cc1OC.
What is the InChIKey of N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide?
The InChIKey is WUTCTWAWRWGPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-5-6-7-8-9-10-18(21)20-19-13-14-11-16(23-3)17(24-4)12-15(14)22-2/h11-13H,5-10H2,1-4H3,(H,20,21).
What are the key properties of N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide?
N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide has a molecular weight of 336.43 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide is sourced from PubChem (CID 4657940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).