N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide

C19H21N3O4 — CID 135752415

IUPACN'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)CCC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C19H21N3O4/c1-13-3-5-15(6-4-13)21-18(24)9-10-19(25)22-20-12-14-11-16(26-2)7-8-17(14)23/h3-8,11-12,23H,9-10H2,1-2H3,(H,21,24)(H,22,25)/b20-12+
InChIKeyVOBAXAGVMMOQSM-UDWIEESQSA-N
MW355.39 g/mol
LogP2.58
Rot. Bonds7

About N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide

N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide (PubChem CID 135752415) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
PubChem CID135752415
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)CCC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C19H21N3O4/c1-13-3-5-15(6-4-13)21-18(24)9-10-19(25)22-20-12-14-11-16(26-2)7-8-17(14)23/h3-8,11-12,23H,9-10H2,1-2H3,(H,21,24)(H,22,25)/b20-12+
InChIKeyVOBAXAGVMMOQSM-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_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-hydroxy-5-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
The IUPAC name of N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide (CID 135752415) is N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide.
What is the SMILES notation for N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
The canonical SMILES for N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide is COc1ccc(O)c(/C=N/NC(=O)CCC(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
The InChIKey is VOBAXAGVMMOQSM-UDWIEESQSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13-3-5-15(6-4-13)21-18(24)9-10-19(25)22-20-12-14-11-16(26-2)7-8-17(14)23/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)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
N'-[(E)-(2-hydroxy-5-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)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide is sourced from PubChem (CID 135752415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).