N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide

C24H22N6O3 — CID 16553640

IUPACN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c(OC)c1
InChIInChI=1S/C24H22N6O3/c1-32-21-13-12-20(22(14-21)33-2)15-25-27-24(31)19-10-8-17(9-11-19)16-30-28-23(26-29-30)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H,27,31)/b25-15+
InChIKeyHTRXNLKMSXYDRS-MFKUBSTISA-N
MW442.48 g/mol
LogP3.17
Rot. Bonds8

About N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide

N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide (PubChem CID 16553640) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
PubChem CID16553640
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c(OC)c1
InChIInChI=1S/C24H22N6O3/c1-32-21-13-12-20(22(14-21)33-2)15-25-27-24(31)19-10-8-17(9-11-19)16-30-28-23(26-29-30)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H,27,31)/b25-15+
InChIKeyHTRXNLKMSXYDRS-MFKUBSTISA-N
XLogP3.17
TPSA103.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]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

N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 135733998
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 42995318
N-[(Z)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 30238170
N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 7933033
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 16553645
3,5-dimethoxy-4-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46652930
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 6900272
3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 3367156
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110527233
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 42995676
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(4-methoxybenzoyl)amino]benzamide
CID 6262653
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-prop-1-en-2-ylbenzamide
CID 162458820

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide?
The IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide (CID 16553640) is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide?
The canonical SMILES for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide is COc1ccc(/C=N/NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c(OC)c1.
What is the InChIKey of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide?
The InChIKey is HTRXNLKMSXYDRS-MFKUBSTISA-N. The full InChI is InChI=1S/C24H22N6O3/c1-32-21-13-12-20(22(14-21)33-2)15-25-27-24(31)19-10-8-17(9-11-19)16-30-28-23(26-29-30)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H,27,31)/b25-15+.
What are the key properties of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide?
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide has a molecular weight of 442.48 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide is sourced from PubChem (CID 16553640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).