N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide

C18H19N3O3 — CID 3656052

IUPACN'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
SMILESCc1cccc(NC(=O)CCC(=O)NN=Cc2ccccc2O)c1
InChIInChI=1S/C18H19N3O3/c1-13-5-4-7-15(11-13)20-17(23)9-10-18(24)21-19-12-14-6-2-3-8-16(14)22/h2-8,11-12,22H,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyDEOQPBDIZNYWTP-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.57
Rot. Bonds6

About N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide

N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide (PubChem CID 3656052) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
PubChem CID3656052
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
SMILESCc1cccc(NC(=O)CCC(=O)NN=Cc2ccccc2O)c1
InChIInChI=1S/C18H19N3O3/c1-13-5-4-7-15(11-13)20-17(23)9-10-18(24)21-19-12-14-6-2-3-8-16(14)22/h2-8,11-12,22H,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyDEOQPBDIZNYWTP-UHFFFAOYSA-N
XLogP2.57
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)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-hydroxy-5-nitrophenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
CID 4029850
N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 4530785
N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 136861998
N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 3766078
N-(3,4-dimethylphenyl)-N'-[(2-hydroxyphenyl)methylideneamino]propanediamide
CID 4554672
N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
CID 5144173
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 4619789
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
N-(3,4-dimethylphenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 4659144
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 3355241

Frequently Asked Questions

What is the IUPAC name of N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide?
The IUPAC name of N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide (CID 3656052) is N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide.
What is the SMILES notation for N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide?
The canonical SMILES for N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide is Cc1cccc(NC(=O)CCC(=O)NN=Cc2ccccc2O)c1.
What is the InChIKey of N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide?
The InChIKey is DEOQPBDIZNYWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-5-4-7-15(11-13)20-17(23)9-10-18(24)21-19-12-14-6-2-3-8-16(14)22/h2-8,11-12,22H,9-10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide?
N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide has a molecular weight of 325.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide is sourced from PubChem (CID 3656052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).