N-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide

C21H25N3O3 — CID 4290564

IUPACN-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide
SMILESCOc1ccc(C=NNC(=O)CCC(=O)Nc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C21H25N3O3/c1-14-5-6-15(2)19(11-14)23-20(25)9-10-21(26)24-22-13-17-7-8-18(27-4)12-16(17)3/h5-8,11-13H,9-10H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyVESKIWGIBPBOFB-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.49
Rot. Bonds7

About N-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide

N-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide (PubChem CID 4290564) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide
PubChem CID4290564
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide
SMILESCOc1ccc(C=NNC(=O)CCC(=O)Nc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C21H25N3O3/c1-14-5-6-15(2)19(11-14)23-20(25)9-10-21(26)24-22-13-17-7-8-18(27-4)12-16(17)3/h5-8,11-13H,9-10H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyVESKIWGIBPBOFB-UHFFFAOYSA-N
XLogP3.49
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.49
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'-[(4-methoxy-2-methylphenyl)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-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3286150
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 135560200
N'-[[4-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenyl]methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3604245
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(5-methoxy-2-methylphenyl)decanediamide
CID 10670784
N-(2,5-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide
CID 3297103
N-(3,4-dichlorophenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]propanediamide
CID 4571711
N-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3297104
N-(2,5-dimethylphenyl)-N'-[(5-methylthiophen-2-yl)methylideneamino]butanediamide
CID 3289546
N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 3342447
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944791

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide (CID 4290564) is N-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide is COc1ccc(C=NNC(=O)CCC(=O)Nc2cc(C)ccc2C)c(C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide?
The InChIKey is VESKIWGIBPBOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-5-6-15(2)19(11-14)23-20(25)9-10-21(26)24-22-13-17-7-8-18(27-4)12-16(17)3/h5-8,11-13H,9-10H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide?
N-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide has a molecular weight of 367.45 g/mol, XLogP of 3.49, 7 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'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 4290564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).