N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide

C19H21N3O4 — CID 135560200

IUPACN'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)N/N=C/c2ccc(O)cc2O)c1
InChIInChI=1S/C19H21N3O4/c1-12-3-4-13(2)16(9-12)21-18(25)7-8-19(26)22-20-11-14-5-6-15(23)10-17(14)24/h3-6,9-11,23-24H,7-8H2,1-2H3,(H,21,25)(H,22,26)/b20-11+
InChIKeyVNBYSXZJUGMBDI-RGVLZGJSSA-N
MW355.39 g/mol
LogP2.58
Rot. Bonds6

About N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide

N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide (PubChem CID 135560200) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
PubChem CID135560200
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)N/N=C/c2ccc(O)cc2O)c1
InChIInChI=1S/C19H21N3O4/c1-12-3-4-13(2)16(9-12)21-18(25)7-8-19(26)22-20-11-14-5-6-15(23)10-17(14)24/h3-6,9-11,23-24H,7-8H2,1-2H3,(H,21,25)(H,22,26)/b20-11+
InChIKeyVNBYSXZJUGMBDI-RGVLZGJSSA-N
XLogP2.58
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
N'-[[4-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenyl]methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3604245
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
CID 3615111
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
CID 4632012
N-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide
CID 4290564
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide
CID 135777435
N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 2293021
N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3677655
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2,4-dimethylphenoxy)acetamide
CID 136720872
N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 136861998
2-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 3247783

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide?
The IUPAC name of N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide (CID 135560200) is N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide.
What is the SMILES notation for N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide?
The canonical SMILES for N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide is Cc1ccc(C)c(NC(=O)CCC(=O)N/N=C/c2ccc(O)cc2O)c1.
What is the InChIKey of N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide?
The InChIKey is VNBYSXZJUGMBDI-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12-3-4-13(2)16(9-12)21-18(25)7-8-19(26)22-20-11-14-5-6-15(23)10-17(14)24/h3-6,9-11,23-24H,7-8H2,1-2H3,(H,21,25)(H,22,26)/b20-11+.
What are the key properties of N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide?
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide has a molecular weight of 355.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide is sourced from PubChem (CID 135560200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).