3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide

C23H30N2O4 — CID 4109578

IUPAC3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
SMILESCCOc1cc(C(=O)NN=C(CC)c2ccc(C)cc2)cc(OCC)c1OCC
InChIInChI=1S/C23H30N2O4/c1-6-19(17-12-10-16(5)11-13-17)24-25-23(26)18-14-20(27-7-2)22(29-9-4)21(15-18)28-8-3/h10-15H,6-9H2,1-5H3,(H,25,26)
InChIKeyJLMWMSRFNIVLAL-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.74
Rot. Bonds10

About 3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide

3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide (PubChem CID 4109578) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
PubChem CID4109578
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
SMILESCCOc1cc(C(=O)NN=C(CC)c2ccc(C)cc2)cc(OCC)c1OCC
InChIInChI=1S/C23H30N2O4/c1-6-19(17-12-10-16(5)11-13-17)24-25-23(26)18-14-20(27-7-2)22(29-9-4)21(15-18)28-8-3/h10-15H,6-9H2,1-5H3,(H,25,26)
InChIKeyJLMWMSRFNIVLAL-UHFFFAOYSA-N
XLogP4.74
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide 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

4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
4-(dimethylamino)-N-[(Z)-1-(4-methylphenyl)propylideneamino]benzamide
CID 6382403
3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide
CID 19685354
N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
CID 3271296
3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
CID 19685134
4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide
CID 135577280
3,4,5-triethoxy-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide
CID 6055861
3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 3718576
3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 4105259
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide
CID 135716964
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide (CID 4109578) is 3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide is CCOc1cc(C(=O)NN=C(CC)c2ccc(C)cc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide?
The InChIKey is JLMWMSRFNIVLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-6-19(17-12-10-16(5)11-13-17)24-25-23(26)18-14-20(27-7-2)22(29-9-4)21(15-18)28-8-3/h10-15H,6-9H2,1-5H3,(H,25,26).
What are the key properties of 3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide?
3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide has a molecular weight of 398.50 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide is sourced from PubChem (CID 4109578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).