N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2-methylphenyl)butanediamide

C19H21N3O4 — CID 135458891

IUPACN'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2-methylphenyl)butanediamide
SMILESC/C(=N\NC(=O)CCC(=O)Nc1ccccc1C)c1ccc(O)cc1O
InChIInChI=1S/C19H21N3O4/c1-12-5-3-4-6-16(12)20-18(25)9-10-19(26)22-21-13(2)15-8-7-14(23)11-17(15)24/h3-8,11,23-24H,9-10H2,1-2H3,(H,20,25)(H,22,26)/b21-13+
InChIKeyLPNJNYHPBYLVOG-FYJGNVAPSA-N
MW355.39 g/mol
LogP2.67
Rot. Bonds6

About N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2-methylphenyl)butanediamide

N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2-methylphenyl)butanediamide (PubChem CID 135458891) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2-methylphenyl)butanediamide
PubChem CID135458891
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2-methylphenyl)butanediamide
SMILESC/C(=N\NC(=O)CCC(=O)Nc1ccccc1C)c1ccc(O)cc1O
InChIInChI=1S/C19H21N3O4/c1-12-5-3-4-6-16(12)20-18(25)9-10-19(26)22-21-13(2)15-8-7-14(23)11-17(15)24/h3-8,11,23-24H,9-10H2,1-2H3,(H,20,25)(H,22,26)/b21-13+
InChIKeyLPNJNYHPBYLVOG-FYJGNVAPSA-N
XLogP2.67
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135620064
4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135683576
N-(4-Fluorophenyl)-3-{N'-[(E)-(4-hydroxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135625972
3-{N'-[(E)-(2,4-Dihydroxyphenyl)methylidene]hydrazinecarbonyl}-N-(4-fluorophenyl)propanamide
CID 135421766
N'-[1-(2,4-dihydroxyphenyl)ethylidene]-4-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 135478329
3-{N'-[(E)-(2,4-Dihydroxyphenyl)methylidene]hydrazinecarbonyl}-N-(3-methylphenyl)propanamide
CID 135504206
N-(4-fluorophenyl)-4-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxobutanamide
CID 135439722
4-[(2E)-2-(3-allyl-2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135517011
3-{N'-[(E)-(4-Hydroxyphenyl)methylidene]hydrazinecarbonyl}-N-(4-methylphenyl)propanamide
CID 135745099
N'-[(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide
CID 2227456
N-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide
CID 3462247
N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 3766078

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2-methylphenyl)butanediamide?
The IUPAC name of N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2-methylphenyl)butanediamide (CID 135458891) is N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2-methylphenyl)butanediamide.
What is the SMILES notation for N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2-methylphenyl)butanediamide?
The canonical SMILES for N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2-methylphenyl)butanediamide is C/C(=N\NC(=O)CCC(=O)Nc1ccccc1C)c1ccc(O)cc1O.
What is the InChIKey of N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2-methylphenyl)butanediamide?
The InChIKey is LPNJNYHPBYLVOG-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12-5-3-4-6-16(12)20-18(25)9-10-19(26)22-21-13(2)15-8-7-14(23)11-17(15)24/h3-8,11,23-24H,9-10H2,1-2H3,(H,20,25)(H,22,26)/b21-13+.
What are the key properties of N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2-methylphenyl)butanediamide?
N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2-methylphenyl)butanediamide has a molecular weight of 355.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2-methylphenyl)butanediamide is sourced from PubChem (CID 135458891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).