N-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide

C26H27N3O3 — CID 3297104

IUPACN-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)NN=Cc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C26H27N3O3/c1-19-12-13-20(2)23(16-19)28-25(30)14-15-26(31)29-27-17-22-10-6-7-11-24(22)32-18-21-8-4-3-5-9-21/h3-13,16-17H,14-15,18H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyJFFLSRIGKXSJSX-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.75
Rot. Bonds9

About N-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide

N-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide (PubChem CID 3297104) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
PubChem CID3297104
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)NN=Cc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C26H27N3O3/c1-19-12-13-20(2)23(16-19)28-25(30)14-15-26(31)29-27-17-22-10-6-7-11-24(22)32-18-21-8-4-3-5-9-21/h3-13,16-17H,14-15,18H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyJFFLSRIGKXSJSX-UHFFFAOYSA-N
XLogP4.75
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide 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-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3289635
N-(2,5-dimethylphenyl)-N'-[(2-ethoxyphenyl)methylideneamino]butanediamide
CID 3297111
N-(2,5-dimethylphenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide
CID 5197278
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
N-[(E)-[2-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126264393
N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)butanediamide
CID 3575444
N-(4-iodophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 46502393
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 51060625
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylbutanediamide
CID 4009755
2-(2,4-dimethylphenyl)-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 133143940
N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 4023878
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4076296

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide (CID 3297104) is N-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide is Cc1ccc(C)c(NC(=O)CCC(=O)NN=Cc2ccccc2OCc2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide?
The InChIKey is JFFLSRIGKXSJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-19-12-13-20(2)23(16-19)28-25(30)14-15-26(31)29-27-17-22-10-6-7-11-24(22)32-18-21-8-4-3-5-9-21/h3-13,16-17H,14-15,18H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide?
N-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide has a molecular weight of 429.52 g/mol, XLogP of 4.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 3297104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).