N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide

C18H19N3O3 — CID 135683576

IUPACN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C18H19N3O3/c1-13-6-8-15(9-7-13)20-17(23)10-11-18(24)21-19-12-14-4-2-3-5-16(14)22/h2-9,12,22H,10-11H2,1H3,(H,20,23)(H,21,24)/b19-12+
InChIKeyVTWKHZSMOIIMHX-XDHOZWIPSA-N
MW325.37 g/mol
LogP2.57
Rot. Bonds6

About N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide

N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide (PubChem CID 135683576) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
PubChem CID135683576
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C18H19N3O3/c1-13-6-8-15(9-7-13)20-17(23)10-11-18(24)21-19-12-14-4-2-3-5-16(14)22/h2-9,12,22H,10-11H2,1H3,(H,20,23)(H,21,24)/b19-12+
InChIKeyVTWKHZSMOIIMHX-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_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
The IUPAC name of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide (CID 135683576) is N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide.
What is the SMILES notation for N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
The canonical SMILES for N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide is Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccccc2O)cc1.
What is the InChIKey of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
The InChIKey is VTWKHZSMOIIMHX-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-6-8-15(9-7-13)20-17(23)10-11-18(24)21-19-12-14-4-2-3-5-16(14)22/h2-9,12,22H,10-11H2,1H3,(H,20,23)(H,21,24)/b19-12+.
What are the key properties of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
N'-[(E)-(2-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)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide is sourced from PubChem (CID 135683576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).