N-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-(4-hydroxy-2-methanimidoylanilino)benzamide

C21H22N4O5 — CID 143897085

IUPACN-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-(4-hydroxy-2-methanimidoylanilino)benzamide
SMILES[H]/N=C/c1cc(O)ccc1Nc1cccc(C(=O)NCCN2C(=O)OC(C)(C)C2=O)c1
InChIInChI=1S/C21H22N4O5/c1-21(2)19(28)25(20(29)30-21)9-8-23-18(27)13-4-3-5-15(10-13)24-17-7-6-16(26)11-14(17)12-22/h3-7,10-12,22,24,26H,8-9H2,1-2H3,(H,23,27)/b22-12+
InChIKeyZUGLWYDUENKPKG-WSDLNYQXSA-N
MW410.43 g/mol
LogP2.62
Rot. Bonds7

About N-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-(4-hydroxy-2-methanimidoylanilino)benzamide

N-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-(4-hydroxy-2-methanimidoylanilino)benzamide (PubChem CID 143897085) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-(4-hydroxy-2-methanimidoylanilino)benzamide.

Molecular Properties

Compound NameN-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-(4-hydroxy-2-methanimidoylanilino)benzamide
PubChem CID143897085
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC NameN-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-(4-hydroxy-2-methanimidoylanilino)benzamide
SMILES[H]/N=C/c1cc(O)ccc1Nc1cccc(C(=O)NCCN2C(=O)OC(C)(C)C2=O)c1
InChIInChI=1S/C21H22N4O5/c1-21(2)19(28)25(20(29)30-21)9-8-23-18(27)13-4-3-5-15(10-13)24-17-7-6-16(26)11-14(17)12-22/h3-7,10-12,22,24,26H,8-9H2,1-2H3,(H,23,27)/b22-12+
InChIKeyZUGLWYDUENKPKG-WSDLNYQXSA-N
XLogP2.62
TPSA131.82 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-N-(1-phenylpropan-2-yl)propanamide;N-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-(4-hydroxy-2-methanimidoylanilino)benzamide
CID 143897084
N-(1-amino-1-oxopropan-2-yl)-3-(4-hydroxy-2-methanimidoylanilino)benzamide;2,2-difluoro-N-(1-phenylpropan-2-yl)propanamide
CID 143897063
3-(ethylsulfonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 100786193
N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide
CID 146088463
3-(acridin-9-ylamino)-N-[2-[[3-(acridin-9-ylamino)benzoyl]amino]ethyl]benzamide
CID 5088765
3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide
CID 115160939
1,1-dimethyl-3-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-benzofuran-5-carboxamide
CID 166260838
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-methylsulfanylbenzamide
CID 121022615
N-cyclopentyl-3-[4-[(1R,2S)-2-(2,2-difluoropropanoylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]-2-methanimidoylanilino]benzamide
CID 143897126
3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4051447
3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide
CID 156755797

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-(4-hydroxy-2-methanimidoylanilino)benzamide?
The IUPAC name of N-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-(4-hydroxy-2-methanimidoylanilino)benzamide (CID 143897085) is N-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-(4-hydroxy-2-methanimidoylanilino)benzamide.
What is the SMILES notation for N-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-(4-hydroxy-2-methanimidoylanilino)benzamide?
The canonical SMILES for N-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-(4-hydroxy-2-methanimidoylanilino)benzamide is [H]/N=C/c1cc(O)ccc1Nc1cccc(C(=O)NCCN2C(=O)OC(C)(C)C2=O)c1.
What is the InChIKey of N-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-(4-hydroxy-2-methanimidoylanilino)benzamide?
The InChIKey is ZUGLWYDUENKPKG-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-21(2)19(28)25(20(29)30-21)9-8-23-18(27)13-4-3-5-15(10-13)24-17-7-6-16(26)11-14(17)12-22/h3-7,10-12,22,24,26H,8-9H2,1-2H3,(H,23,27)/b22-12+.
What are the key properties of N-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-(4-hydroxy-2-methanimidoylanilino)benzamide?
N-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-(4-hydroxy-2-methanimidoylanilino)benzamide has a molecular weight of 410.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-(4-hydroxy-2-methanimidoylanilino)benzamide is sourced from PubChem (CID 143897085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).