N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide

C18H19N3O3 — CID 135745099

IUPACN'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C18H19N3O3/c1-13-2-6-15(7-3-13)20-17(23)10-11-18(24)21-19-12-14-4-8-16(22)9-5-14/h2-9,12,22H,10-11H2,1H3,(H,20,23)(H,21,24)/b19-12+
InChIKeyUCMZQWGKFDDSIB-XDHOZWIPSA-N
MW325.37 g/mol
LogP2.57
Rot. Bonds6

About N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide

N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide (PubChem CID 135745099) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
PubChem CID135745099
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C18H19N3O3/c1-13-2-6-15(7-3-13)20-17(23)10-11-18(24)21-19-12-14-4-8-16(22)9-5-14/h2-9,12,22H,10-11H2,1H3,(H,20,23)(H,21,24)/b19-12+
InChIKeyUCMZQWGKFDDSIB-XDHOZWIPSA-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_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

Gsk-9089
CID 5497124
2-(2-(3-Allyl-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135433321
Acyl Hydrazone, 10
CID 11404599
N-[[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 644030
N-(4-{[2-(3-hydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 6875721
1-(4-fluorophenyl)-N'-(2-hydroxybenzylidene)-5-oxo-3-pyrrolidinecarbohydrazide
CID 135536624
4-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135620064
N-(2-{[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]carbonyl}phenyl)benzamide
CID 135625843
4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135683576
N-[2-(4-hydroxyphenyl)-1,1-dimethylethyl]-3-[2-(4-nitrobenzylidene)hydrazino]-3-oxopropanamide
CID 5348708
Benzamide, 4-methyl-N-[3-(4-hydroxybenzylidenhydrazinocarbonyl)phenyl]-
CID 135419955
N-(4-Fluorophenyl)-3-{N'-[(E)-(4-hydroxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135625972

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
The IUPAC name of N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide (CID 135745099) is N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide.
What is the SMILES notation for N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
The canonical SMILES for N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide is Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(O)cc2)cc1.
What is the InChIKey of N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
The InChIKey is UCMZQWGKFDDSIB-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-2-6-15(7-3-13)20-17(23)10-11-18(24)21-19-12-14-4-8-16(22)9-5-14/h2-9,12,22H,10-11H2,1H3,(H,20,23)(H,21,24)/b19-12+.
What are the key properties of N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-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'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide is sourced from PubChem (CID 135745099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).