N-(2,4-dimethylphenyl)-N'-[(Z)-1-(4-hydroxyphenyl)propylideneamino]butanediamide

C21H25N3O3 — CID 136893033

IUPACN-(2,4-dimethylphenyl)-N'-[(Z)-1-(4-hydroxyphenyl)propylideneamino]butanediamide
SMILESCC/C(=N/NC(=O)CCC(=O)Nc1ccc(C)cc1C)c1ccc(O)cc1
InChIInChI=1S/C21H25N3O3/c1-4-18(16-6-8-17(25)9-7-16)23-24-21(27)12-11-20(26)22-19-10-5-14(2)13-15(19)3/h5-10,13,25H,4,11-12H2,1-3H3,(H,22,26)(H,24,27)/b23-18-
InChIKeyARJWUDBUKMHJHO-NKFKGCMQSA-N
MW367.45 g/mol
LogP3.66
Rot. Bonds7

About N-(2,4-dimethylphenyl)-N'-[(Z)-1-(4-hydroxyphenyl)propylideneamino]butanediamide

N-(2,4-dimethylphenyl)-N'-[(Z)-1-(4-hydroxyphenyl)propylideneamino]butanediamide (PubChem CID 136893033) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N'-[(Z)-1-(4-hydroxyphenyl)propylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N'-[(Z)-1-(4-hydroxyphenyl)propylideneamino]butanediamide
PubChem CID136893033
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(2,4-dimethylphenyl)-N'-[(Z)-1-(4-hydroxyphenyl)propylideneamino]butanediamide
SMILESCC/C(=N/NC(=O)CCC(=O)Nc1ccc(C)cc1C)c1ccc(O)cc1
InChIInChI=1S/C21H25N3O3/c1-4-18(16-6-8-17(25)9-7-16)23-24-21(27)12-11-20(26)22-19-10-5-14(2)13-15(19)3/h5-10,13,25H,4,11-12H2,1-3H3,(H,22,26)(H,24,27)/b23-18-
InChIKeyARJWUDBUKMHJHO-NKFKGCMQSA-N
XLogP3.66
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,4-dimethylphenyl)-N'-[(Z)-1-(4-hydroxyphenyl)propylideneamino]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-(2,4-dimethylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 135560053
N-(2,5-dimethylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 135560229
N-(2,4-dimethylphenyl)-N'-(1-phenylpropylideneamino)butanediamide
CID 3462359
N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide
CID 135560062
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
N-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide
CID 3323455
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]dodecanamide
CID 135704395
N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 3352206
N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 5141586
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N-[(E)-1-(4-methylphenyl)propylideneamino]decanamide
CID 6262832

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N'-[(Z)-1-(4-hydroxyphenyl)propylideneamino]butanediamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N'-[(Z)-1-(4-hydroxyphenyl)propylideneamino]butanediamide (CID 136893033) is N-(2,4-dimethylphenyl)-N'-[(Z)-1-(4-hydroxyphenyl)propylideneamino]butanediamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N'-[(Z)-1-(4-hydroxyphenyl)propylideneamino]butanediamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N'-[(Z)-1-(4-hydroxyphenyl)propylideneamino]butanediamide is CC/C(=N/NC(=O)CCC(=O)Nc1ccc(C)cc1C)c1ccc(O)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N'-[(Z)-1-(4-hydroxyphenyl)propylideneamino]butanediamide?
The InChIKey is ARJWUDBUKMHJHO-NKFKGCMQSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-18(16-6-8-17(25)9-7-16)23-24-21(27)12-11-20(26)22-19-10-5-14(2)13-15(19)3/h5-10,13,25H,4,11-12H2,1-3H3,(H,22,26)(H,24,27)/b23-18-.
What are the key properties of N-(2,4-dimethylphenyl)-N'-[(Z)-1-(4-hydroxyphenyl)propylideneamino]butanediamide?
N-(2,4-dimethylphenyl)-N'-[(Z)-1-(4-hydroxyphenyl)propylideneamino]butanediamide has a molecular weight of 367.45 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N'-[(Z)-1-(4-hydroxyphenyl)propylideneamino]butanediamide is sourced from PubChem (CID 136893033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).