4-hydroxy-N-(2,2,6-trimethyl-7,9-dioxo-8-azatricyclo[4.3.0.01,3]nonan-8-yl)benzamide

C18H20N2O4 — CID 5052768

IUPAC4-hydroxy-N-(2,2,6-trimethyl-7,9-dioxo-8-azatricyclo[4.3.0.01,3]nonan-8-yl)benzamide
SMILESCC12CCC3C(C)(C)C31C(=O)N(NC(=O)c1ccc(O)cc1)C2=O
InChIInChI=1S/C18H20N2O4/c1-16(2)12-8-9-17(3)14(23)20(15(24)18(12,16)17)19-13(22)10-4-6-11(21)7-5-10/h4-7,12,21H,8-9H2,1-3H3,(H,19,22)
InChIKeyPEIVWBQRMKASBC-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.85
Rot. Bonds2

About 4-hydroxy-N-(2,2,6-trimethyl-7,9-dioxo-8-azatricyclo[4.3.0.01,3]nonan-8-yl)benzamide

4-hydroxy-N-(2,2,6-trimethyl-7,9-dioxo-8-azatricyclo[4.3.0.01,3]nonan-8-yl)benzamide (PubChem CID 5052768) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-hydroxy-N-(2,2,6-trimethyl-7,9-dioxo-8-azatricyclo[4.3.0.01,3]nonan-8-yl)benzamide.

Molecular Properties

Compound Name4-hydroxy-N-(2,2,6-trimethyl-7,9-dioxo-8-azatricyclo[4.3.0.01,3]nonan-8-yl)benzamide
PubChem CID5052768
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-hydroxy-N-(2,2,6-trimethyl-7,9-dioxo-8-azatricyclo[4.3.0.01,3]nonan-8-yl)benzamide
SMILESCC12CCC3C(C)(C)C31C(=O)N(NC(=O)c1ccc(O)cc1)C2=O
InChIInChI=1S/C18H20N2O4/c1-16(2)12-8-9-17(3)14(23)20(15(24)18(12,16)17)19-13(22)10-4-6-11(21)7-5-10/h4-7,12,21H,8-9H2,1-3H3,(H,19,22)
InChIKeyPEIVWBQRMKASBC-UHFFFAOYSA-N
XLogP1.85
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylpiperidin-1-yl)-4-hydroxybenzamide
CID 78909911
4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119060
N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79878341
N-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-4-methylbenzamide
CID 23306320
4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2,2-dicarboxylic acid
CID 66610288
4-tert-butyl-N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide
CID 6735840
4-hydroxy-N-methyliodanuidylbenzamide
CID 148793599
N-(2,5-dioxopyrrolidin-3-yl)-4-hydroxybenzamide
CID 110462643
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide
CID 9324450
1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61293759
N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-4-hydroxybenzamide
CID 9072634

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2,2,6-trimethyl-7,9-dioxo-8-azatricyclo[4.3.0.01,3]nonan-8-yl)benzamide?
The IUPAC name of 4-hydroxy-N-(2,2,6-trimethyl-7,9-dioxo-8-azatricyclo[4.3.0.01,3]nonan-8-yl)benzamide (CID 5052768) is 4-hydroxy-N-(2,2,6-trimethyl-7,9-dioxo-8-azatricyclo[4.3.0.01,3]nonan-8-yl)benzamide.
What is the SMILES notation for 4-hydroxy-N-(2,2,6-trimethyl-7,9-dioxo-8-azatricyclo[4.3.0.01,3]nonan-8-yl)benzamide?
The canonical SMILES for 4-hydroxy-N-(2,2,6-trimethyl-7,9-dioxo-8-azatricyclo[4.3.0.01,3]nonan-8-yl)benzamide is CC12CCC3C(C)(C)C31C(=O)N(NC(=O)c1ccc(O)cc1)C2=O.
What is the InChIKey of 4-hydroxy-N-(2,2,6-trimethyl-7,9-dioxo-8-azatricyclo[4.3.0.01,3]nonan-8-yl)benzamide?
The InChIKey is PEIVWBQRMKASBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-16(2)12-8-9-17(3)14(23)20(15(24)18(12,16)17)19-13(22)10-4-6-11(21)7-5-10/h4-7,12,21H,8-9H2,1-3H3,(H,19,22).
What are the key properties of 4-hydroxy-N-(2,2,6-trimethyl-7,9-dioxo-8-azatricyclo[4.3.0.01,3]nonan-8-yl)benzamide?
4-hydroxy-N-(2,2,6-trimethyl-7,9-dioxo-8-azatricyclo[4.3.0.01,3]nonan-8-yl)benzamide has a molecular weight of 328.37 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2,2,6-trimethyl-7,9-dioxo-8-azatricyclo[4.3.0.01,3]nonan-8-yl)benzamide is sourced from PubChem (CID 5052768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).