N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2,5-dimethylphenyl)butanediamide

C20H23N3O4 — CID 3677655

IUPACN'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2,5-dimethylphenyl)butanediamide
SMILESCC(=NNC(=O)CCC(=O)Nc1cc(C)ccc1C)c1ccc(O)cc1O
InChIInChI=1S/C20H23N3O4/c1-12-4-5-13(2)17(10-12)21-19(26)8-9-20(27)23-22-14(3)16-7-6-15(24)11-18(16)25/h4-7,10-11,24-25H,8-9H2,1-3H3,(H,21,26)(H,23,27)
InChIKeyIQKUTJGWFRLNRF-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.97
Rot. Bonds6

About N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2,5-dimethylphenyl)butanediamide

N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2,5-dimethylphenyl)butanediamide (PubChem CID 3677655) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2,5-dimethylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2,5-dimethylphenyl)butanediamide
PubChem CID3677655
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2,5-dimethylphenyl)butanediamide
SMILESCC(=NNC(=O)CCC(=O)Nc1cc(C)ccc1C)c1ccc(O)cc1O
InChIInChI=1S/C20H23N3O4/c1-12-4-5-13(2)17(10-12)21-19(26)8-9-20(27)23-22-14(3)16-7-6-15(24)11-18(16)25/h4-7,10-11,24-25H,8-9H2,1-3H3,(H,21,26)(H,23,27)
InChIKeyIQKUTJGWFRLNRF-UHFFFAOYSA-N
XLogP2.97
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.97
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-(2,5-dimethylphenyl)butanediamide
CID 135560200
N-(2,5-dimethylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 135560229
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]decanamide
CID 4124156
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide
CID 136717836
2-(2,4-dimethylphenyl)-N-[(Z)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]acetamide
CID 136727512
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 135569434
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 143033643
N-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide
CID 3323455
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 136727514
ethyl (2R,3Z)-3-[[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]-2-methylbutanoate
CID 7269735
N'-[[4-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenyl]methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3604245
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135811310

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2,5-dimethylphenyl)butanediamide?
The IUPAC name of N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2,5-dimethylphenyl)butanediamide (CID 3677655) is N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2,5-dimethylphenyl)butanediamide.
What is the SMILES notation for N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2,5-dimethylphenyl)butanediamide?
The canonical SMILES for N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2,5-dimethylphenyl)butanediamide is CC(=NNC(=O)CCC(=O)Nc1cc(C)ccc1C)c1ccc(O)cc1O.
What is the InChIKey of N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2,5-dimethylphenyl)butanediamide?
The InChIKey is IQKUTJGWFRLNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-12-4-5-13(2)17(10-12)21-19(26)8-9-20(27)23-22-14(3)16-7-6-15(24)11-18(16)25/h4-7,10-11,24-25H,8-9H2,1-3H3,(H,21,26)(H,23,27).
What are the key properties of N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2,5-dimethylphenyl)butanediamide?
N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2,5-dimethylphenyl)butanediamide has a molecular weight of 369.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2,5-dimethylphenyl)butanediamide is sourced from PubChem (CID 3677655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).