2,4-dihydroxy-N-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide

C20H23N3O4 — CID 5372359

IUPAC2,4-dihydroxy-N-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide
SMILESC/C(CC(=O)Nc1c(C)cc(C)cc1C)=N/NC(=O)c1ccc(O)cc1O
InChIInChI=1S/C20H23N3O4/c1-11-7-12(2)19(13(3)8-11)21-18(26)9-14(4)22-23-20(27)16-6-5-15(24)10-17(16)25/h5-8,10,24-25H,9H2,1-4H3,(H,21,26)(H,23,27)/b22-14-
InChIKeyRJBQDYYYNUGFRI-HMAPJEAMSA-N
MW369.42 g/mol
LogP3.16
Rot. Bonds5

About 2,4-dihydroxy-N-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide

2,4-dihydroxy-N-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide (PubChem CID 5372359) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide
PubChem CID5372359
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2,4-dihydroxy-N-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide
SMILESC/C(CC(=O)Nc1c(C)cc(C)cc1C)=N/NC(=O)c1ccc(O)cc1O
InChIInChI=1S/C20H23N3O4/c1-11-7-12(2)19(13(3)8-11)21-18(26)9-14(4)22-23-20(27)16-6-5-15(24)10-17(16)25/h5-8,10,24-25H,9H2,1-4H3,(H,21,26)(H,23,27)/b22-14-
InChIKeyRJBQDYYYNUGFRI-HMAPJEAMSA-N
XLogP3.16
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(E)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide
CID 56693956
4-iodo-N-[(E)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide
CID 46501048
2-chloro-4-nitro-N-[[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide
CID 3974829
2,4-dihydroxy-N-[(E)-[4-oxo-4-(prop-2-enylamino)butan-2-ylidene]amino]benzamide
CID 171979184
2,4-dihydroxy-N-[[4-oxo-4-[2-(trifluoromethyl)anilino]butan-2-ylidene]amino]benzamide
CID 3948634
2,4-dihydroxy-N-[[4-(3-nitroanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 4692567
N-(4-methylphenyl)-N'-[(E)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide
CID 46502643
2,4-dihydroxy-N-[(E)-[4-oxo-4-(oxolan-2-ylmethylamino)butan-2-ylidene]amino]benzamide
CID 171980726
N-(2-methoxyethyl)-N'-[(E)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide
CID 46501561
N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide
CID 4287242
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2,4-dihydroxy-N-[(Z)-[4-[(2-methoxydibenzofuran-3-yl)amino]-4-oxobutan-2-ylidene]amino]benzamide
CID 98139648

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide (CID 5372359) is 2,4-dihydroxy-N-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide is C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N/NC(=O)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide?
The InChIKey is RJBQDYYYNUGFRI-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-11-7-12(2)19(13(3)8-11)21-18(26)9-14(4)22-23-20(27)16-6-5-15(24)10-17(16)25/h5-8,10,24-25H,9H2,1-4H3,(H,21,26)(H,23,27)/b22-14-.
What are the key properties of 2,4-dihydroxy-N-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide?
2,4-dihydroxy-N-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide has a molecular weight of 369.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide is sourced from PubChem (CID 5372359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).