N-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide

C19H30N2O4 — CID 4181503

IUPACN-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide
SMILESCCCCCCCCC(=O)NN=Cc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C19H30N2O4/c1-5-6-7-8-9-10-11-17(22)21-20-14-15-12-13-16(23-2)19(25-4)18(15)24-3/h12-14H,5-11H2,1-4H3,(H,21,22)
InChIKeyKJXPMZYBMVGKBA-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.91
Rot. Bonds12

About N-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide

N-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide (PubChem CID 4181503) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide.

Molecular Properties

Compound NameN-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide
PubChem CID4181503
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide
SMILESCCCCCCCCC(=O)NN=Cc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C19H30N2O4/c1-5-6-7-8-9-10-11-17(22)21-20-14-15-12-13-16(23-2)19(25-4)18(15)24-3/h12-14H,5-11H2,1-4H3,(H,21,22)
InChIKeyKJXPMZYBMVGKBA-UHFFFAOYSA-N
XLogP3.91
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.91
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'}

Analyze N-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid
CID 4639552
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide
CID 51060988
3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide
CID 6008336
N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide
CID 4657940
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide
CID 5334708
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide
CID 4127873
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide
CID 135533696
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 110506839
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]hexanamide
CID 135458849
N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 6260724
N,N'-bis[(2,4,5-trimethoxyphenyl)methylideneamino]octanediamide
CID 3495405
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide
CID 136806672

Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide?
The IUPAC name of N-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide (CID 4181503) is N-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide.
What is the SMILES notation for N-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide?
The canonical SMILES for N-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide is CCCCCCCCC(=O)NN=Cc1ccc(OC)c(OC)c1OC.
What is the InChIKey of N-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide?
The InChIKey is KJXPMZYBMVGKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-5-6-7-8-9-10-11-17(22)21-20-14-15-12-13-16(23-2)19(25-4)18(15)24-3/h12-14H,5-11H2,1-4H3,(H,21,22).
What are the key properties of N-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide?
N-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide has a molecular weight of 350.46 g/mol, XLogP of 3.91, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide is sourced from PubChem (CID 4181503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).