N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide

C19H18N2O4 — CID 976485

IUPACN-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide
SMILESCCCN1C(=O)c2ccc(C(=O)Nc3cc(C)ccc3O)cc2C1=O
InChIInChI=1S/C19H18N2O4/c1-3-8-21-18(24)13-6-5-12(10-14(13)19(21)25)17(23)20-15-9-11(2)4-7-16(15)22/h4-7,9-10,22H,3,8H2,1-2H3,(H,20,23)
InChIKeyXZBLDKMHENSBIN-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.96
Rot. Bonds4

About N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide

N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide (PubChem CID 976485) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide
PubChem CID976485
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide
SMILESCCCN1C(=O)c2ccc(C(=O)Nc3cc(C)ccc3O)cc2C1=O
InChIInChI=1S/C19H18N2O4/c1-3-8-21-18(24)13-6-5-12(10-14(13)19(21)25)17(23)20-15-9-11(2)4-7-16(15)22/h4-7,9-10,22H,3,8H2,1-2H3,(H,20,23)
InChIKeyXZBLDKMHENSBIN-UHFFFAOYSA-N
XLogP2.96
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.96
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)-1,3-dioxo-2-propylisoindole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide (CID 976485) is N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide is CCCN1C(=O)c2ccc(C(=O)Nc3cc(C)ccc3O)cc2C1=O.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide?
The InChIKey is XZBLDKMHENSBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-8-21-18(24)13-6-5-12(10-14(13)19(21)25)17(23)20-15-9-11(2)4-7-16(15)22/h4-7,9-10,22H,3,8H2,1-2H3,(H,20,23).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide?
N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.96, 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)-1,3-dioxo-2-propylisoindole-5-carboxamide is sourced from PubChem (CID 976485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).