N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide

C19H21N3O4 — CID 135439767

IUPACN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
SMILESCOc1cc(/C=N/NC(=O)CCC(=O)Nc2ccc(C)cc2)ccc1O
InChIInChI=1S/C19H21N3O4/c1-13-3-6-15(7-4-13)21-18(24)9-10-19(25)22-20-12-14-5-8-16(23)17(11-14)26-2/h3-8,11-12,23H,9-10H2,1-2H3,(H,21,24)(H,22,25)/b20-12+
InChIKeyUAYIMXGQAYKXLV-UDWIEESQSA-N
MW355.39 g/mol
LogP2.58
Rot. Bonds7

About N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide

N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide (PubChem CID 135439767) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
PubChem CID135439767
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
SMILESCOc1cc(/C=N/NC(=O)CCC(=O)Nc2ccc(C)cc2)ccc1O
InChIInChI=1S/C19H21N3O4/c1-13-3-6-15(7-4-13)21-18(24)9-10-19(25)22-20-12-14-5-8-16(23)17(11-14)26-2/h3-8,11-12,23H,9-10H2,1-2H3,(H,21,24)(H,22,25)/b20-12+
InChIKeyUAYIMXGQAYKXLV-UDWIEESQSA-N
XLogP2.58
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
The IUPAC name of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide (CID 135439767) is N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide.
What is the SMILES notation for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
The canonical SMILES for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide is COc1cc(/C=N/NC(=O)CCC(=O)Nc2ccc(C)cc2)ccc1O.
What is the InChIKey of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
The InChIKey is UAYIMXGQAYKXLV-UDWIEESQSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13-3-6-15(7-4-13)21-18(24)9-10-19(25)22-20-12-14-5-8-16(23)17(11-14)26-2/h3-8,11-12,23H,9-10H2,1-2H3,(H,21,24)(H,22,25)/b20-12+.
What are the key properties of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide has a molecular weight of 355.39 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide is sourced from PubChem (CID 135439767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).