N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide

C18H19N3O4 — CID 135504206

IUPACN'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
SMILESCc1cccc(NC(=O)CCC(=O)N/N=C/c2ccc(O)cc2O)c1
InChIInChI=1S/C18H19N3O4/c1-12-3-2-4-14(9-12)20-17(24)7-8-18(25)21-19-11-13-5-6-15(22)10-16(13)23/h2-6,9-11,22-23H,7-8H2,1H3,(H,20,24)(H,21,25)/b19-11+
InChIKeyKMKRBZXZXONGCY-YBFXNURJSA-N
MW341.37 g/mol
LogP2.28
Rot. Bonds6

About N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide

N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide (PubChem CID 135504206) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
PubChem CID135504206
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
SMILESCc1cccc(NC(=O)CCC(=O)N/N=C/c2ccc(O)cc2O)c1
InChIInChI=1S/C18H19N3O4/c1-12-3-2-4-14(9-12)20-17(24)7-8-18(25)21-19-11-13-5-6-15(22)10-16(13)23/h2-6,9-11,22-23H,7-8H2,1H3,(H,20,24)(H,21,25)/b19-11+
InChIKeyKMKRBZXZXONGCY-YBFXNURJSA-N
XLogP2.28
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.28
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

N-(4-{[2-(2,4-dihydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 135418715
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
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
4-[(2E)-2-(2-hydroxy-5-methoxybenzylidene)hydrazino]-N-(3-methylphenyl)-4-oxobutanamide
CID 135403927
3-{N'-[(E)-(2,4-Dihydroxyphenyl)methylidene]hydrazinecarbonyl}-N-(4-fluorophenyl)propanamide
CID 135421766
N'-(3-allyl-2-hydroxybenzylidene)-4-[(4-methylphenyl)amino]butanohydrazide
CID 135425036
4-[2-(2-hydroxy-5-nitrobenzylidene)hydrazino]-N-(2-methylphenyl)-4-oxobutanamide
CID 135425066
3-{N'-[(E)-(2-Hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}-N-(3-methylphenyl)propanamide
CID 135497966
3-{N'-[(E)-(2-Hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}-N-(4-methylphenyl)propanamide
CID 135497967
4-[(2E)-2-(3-allyl-2-hydroxybenzylidene)hydrazino]-N-(4-fluorophenyl)-4-oxobutanamide
CID 135517031

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide?
The IUPAC name of N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide (CID 135504206) is N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide.
What is the SMILES notation for N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide?
The canonical SMILES for N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide is Cc1cccc(NC(=O)CCC(=O)N/N=C/c2ccc(O)cc2O)c1.
What is the InChIKey of N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide?
The InChIKey is KMKRBZXZXONGCY-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12-3-2-4-14(9-12)20-17(24)7-8-18(25)21-19-11-13-5-6-15(22)10-16(13)23/h2-6,9-11,22-23H,7-8H2,1H3,(H,20,24)(H,21,25)/b19-11+.
What are the key properties of N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide?
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide has a molecular weight of 341.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide is sourced from PubChem (CID 135504206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).