3-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzamide;ethane

C20H21N3O4 — CID 142180304

IUPAC3-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzamide;ethane
SMILESCC.NC(=O)c1cccc(Nc2c(NCc3ccccc3)c(=O)c2=O)c1O
InChIInChI=1S/C18H15N3O4.C2H6/c19-18(25)11-7-4-8-12(15(11)22)21-14-13(16(23)17(14)24)20-9-10-5-2-1-3-6-10;1-2/h1-8,20-22H,9H2,(H2,19,25);1-2H3
InChIKeyUPSLMZKWYFHFFG-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.47
Rot. Bonds6

About 3-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzamide;ethane

3-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzamide;ethane (PubChem CID 142180304) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzamide;ethane.

Molecular Properties

Compound Name3-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzamide;ethane
PubChem CID142180304
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name3-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzamide;ethane
SMILESCC.NC(=O)c1cccc(Nc2c(NCc3ccccc3)c(=O)c2=O)c1O
InChIInChI=1S/C18H15N3O4.C2H6/c19-18(25)11-7-4-8-12(15(11)22)21-14-13(16(23)17(14)24)20-9-10-5-2-1-3-6-10;1-2/h1-8,20-22H,9H2,(H2,19,25);1-2H3
InChIKeyUPSLMZKWYFHFFG-UHFFFAOYSA-N
XLogP2.47
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 3-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzoyl]-dimethylazanium
CID 163604763
3-(benzylamino)-4-[2-hydroxy-3-(pyrrolidine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione;ethane;methanol
CID 142180643
ethane;3-[[2-[(3-fluorophenyl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 142180167
3-[[5-(benzylamino)-1,2-dimethyl-3,6-dioxopyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 142262465
3-(benzylamino)-4-[2-hydroxy-3-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]anilino]cyclobut-3-ene-1,2-dione
CID 142857004
4-(benzylamino)-5-[2-hydroxy-3-(pyrrolidine-1-carbonyl)anilino]-1,2-dimethylpyridazine-3,6-dione;ethane;methanol
CID 142262636
3-[[4-(benzylamino)-2-methyl-3,6-dioxo-1H-pyridazin-5-yl]amino]-2-hydroxy-N-methylbenzamide;ethane
CID 142262625
3-(benzylamino)-2-phenylbenzamide;dihydrochloride
CID 174723239
3-(benzylamino)-4-(methylamino)cyclobut-3-ene-1,2-dione;ethane
CID 145166607
3-[[2-(2-bromoanilino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzoic acid
CID 59068153
methyl 2-[[2-[(3,4-dimethoxyphenyl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]benzoate
CID 75490689
3-[(3-hydroxyphenyl)methylamino]-2-methylbenzamide
CID 43694119

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzamide;ethane?
The IUPAC name of 3-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzamide;ethane (CID 142180304) is 3-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzamide;ethane.
What is the SMILES notation for 3-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzamide;ethane?
The canonical SMILES for 3-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzamide;ethane is CC.NC(=O)c1cccc(Nc2c(NCc3ccccc3)c(=O)c2=O)c1O.
What is the InChIKey of 3-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzamide;ethane?
The InChIKey is UPSLMZKWYFHFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4.C2H6/c19-18(25)11-7-4-8-12(15(11)22)21-14-13(16(23)17(14)24)20-9-10-5-2-1-3-6-10;1-2/h1-8,20-22H,9H2,(H2,19,25);1-2H3.
What are the key properties of 3-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzamide;ethane?
3-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzamide;ethane has a molecular weight of 367.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzamide;ethane is sourced from PubChem (CID 142180304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).