N-(2-hydroxy-5-methylphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide

C20H20N2O4 — CID 1340719

IUPACN-(2-hydroxy-5-methylphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c1
InChIInChI=1S/C20H20N2O4/c1-11(2)10-22-19(25)14-6-5-13(9-15(14)20(22)26)18(24)21-16-8-12(3)4-7-17(16)23/h4-9,11,23H,10H2,1-3H3,(H,21,24)
InChIKeyKDCJSSSSVHXFTA-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.20
Rot. Bonds4

About N-(2-hydroxy-5-methylphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide

N-(2-hydroxy-5-methylphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 1340719) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID1340719
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-(2-hydroxy-5-methylphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c1
InChIInChI=1S/C20H20N2O4/c1-11(2)10-22-19(25)14-6-5-13(9-15(14)20(22)26)18(24)21-16-8-12(3)4-7-17(16)23/h4-9,11,23H,10H2,1-3H3,(H,21,24)
InChIKeyKDCJSSSSVHXFTA-UHFFFAOYSA-N
XLogP3.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide (CID 1340719) is N-(2-hydroxy-5-methylphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(O)c(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is KDCJSSSSVHXFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-11(2)10-22-19(25)14-6-5-13(9-15(14)20(22)26)18(24)21-16-8-12(3)4-7-17(16)23/h4-9,11,23H,10H2,1-3H3,(H,21,24).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
N-(2-hydroxy-5-methylphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 1340719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).