N-(4-hydroxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide

C18H16N2O4 — CID 888717

IUPACN-(4-hydroxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide
SMILESCCCN1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3)cc2C1=O
InChIInChI=1S/C18H16N2O4/c1-2-9-20-17(23)14-8-3-11(10-15(14)18(20)24)16(22)19-12-4-6-13(21)7-5-12/h3-8,10,21H,2,9H2,1H3,(H,19,22)
InChIKeyYMODJNWWGPXFAY-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.65
Rot. Bonds4

About N-(4-hydroxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide

N-(4-hydroxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide (PubChem CID 888717) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide
PubChem CID888717
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-(4-hydroxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide
SMILESCCCN1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3)cc2C1=O
InChIInChI=1S/C18H16N2O4/c1-2-9-20-17(23)14-8-3-11(10-15(14)18(20)24)16(22)19-12-4-6-13(21)7-5-12/h3-8,10,21H,2,9H2,1H3,(H,19,22)
InChIKeyYMODJNWWGPXFAY-UHFFFAOYSA-N
XLogP2.65
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide (CID 888717) is N-(4-hydroxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide is CCCN1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3)cc2C1=O.
What is the InChIKey of N-(4-hydroxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide?
The InChIKey is YMODJNWWGPXFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-2-9-20-17(23)14-8-3-11(10-15(14)18(20)24)16(22)19-12-4-6-13(21)7-5-12/h3-8,10,21H,2,9H2,1H3,(H,19,22).
What are the key properties of N-(4-hydroxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide?
N-(4-hydroxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide is sourced from PubChem (CID 888717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).