N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide

C19H21N3O4 — CID 135403927

IUPACN'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)CCC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C19H21N3O4/c1-13-4-3-5-15(10-13)21-18(24)8-9-19(25)22-20-12-14-11-16(26-2)6-7-17(14)23/h3-7,10-12,23H,8-9H2,1-2H3,(H,21,24)(H,22,25)/b20-12+
InChIKeyVNCJEPFSMBRJPT-UDWIEESQSA-N
MW355.39 g/mol
LogP2.58
Rot. Bonds7

About N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide

N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide (PubChem CID 135403927) 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-(3-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
PubChem CID135403927
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)CCC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C19H21N3O4/c1-13-4-3-5-15(10-13)21-18(24)8-9-19(25)22-20-12-14-11-16(26-2)6-7-17(14)23/h3-7,10-12,23H,8-9H2,1-2H3,(H,21,24)(H,22,25)/b20-12+
InChIKeyVNCJEPFSMBRJPT-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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Related Compounds

(3E)-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135519990
4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135683576
N'-(2-hydroxy-5-methoxybenzylidene)-4-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 135403111
N''-[(E)-(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2-oxidanylidene-1H-quinoline-4-carbohydrazide
CID 135519979
2-({2-[2-(2-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxoethyl}thio)-N-phenylacetamide
CID 135438761
3-{N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}-N-(4-methylphenyl)propanamide
CID 135439767
3-{N'-[(E)-(2,4-Dihydroxyphenyl)methylidene]hydrazinecarbonyl}-N-(3-methylphenyl)propanamide
CID 135504206
4-[(2E)-2-(2-hydroxy-5-methoxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135752415
N-(4-Fluorophenyl)-3-{N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135821508
N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylidene]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 135411841
N-(3-bromophenyl)-5-[2-(2,5-dimethoxybenzylidene)hydrazino]-5-oxopentanamide
CID 6895293
N-Phenyl-N'-(2-hydroxy-5-methoxybenzylidene) hydrazine
CID 135580742

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide?
The IUPAC name of N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide (CID 135403927) is N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide.
What is the SMILES notation for N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide?
The canonical SMILES for N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide is COc1ccc(O)c(/C=N/NC(=O)CCC(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide?
The InChIKey is VNCJEPFSMBRJPT-UDWIEESQSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13-4-3-5-15(10-13)21-18(24)8-9-19(25)22-20-12-14-11-16(26-2)6-7-17(14)23/h3-7,10-12,23H,8-9H2,1-2H3,(H,21,24)(H,22,25)/b20-12+.
What are the key properties of N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide?
N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-(3-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-(3-methylphenyl)butanediamide is sourced from PubChem (CID 135403927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).