N-(1,3-dioxo-2-phenylisoindol-4-yl)pentanamide

C19H18N2O3 — CID 2301106

IUPACN-(1,3-dioxo-2-phenylisoindol-4-yl)pentanamide
SMILESCCCCC(=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C19H18N2O3/c1-2-3-12-16(22)20-15-11-7-10-14-17(15)19(24)21(18(14)23)13-8-5-4-6-9-13/h4-11H,2-3,12H2,1H3,(H,20,22)
InChIKeyZAHNETYOZZDLNH-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.62
Rot. Bonds5

About N-(1,3-dioxo-2-phenylisoindol-4-yl)pentanamide

N-(1,3-dioxo-2-phenylisoindol-4-yl)pentanamide (PubChem CID 2301106) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(1,3-dioxo-2-phenylisoindol-4-yl)pentanamide.

Molecular Properties

Compound NameN-(1,3-dioxo-2-phenylisoindol-4-yl)pentanamide
PubChem CID2301106
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(1,3-dioxo-2-phenylisoindol-4-yl)pentanamide
SMILESCCCCC(=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C19H18N2O3/c1-2-3-12-16(22)20-15-11-7-10-14-17(15)19(24)21(18(14)23)13-8-5-4-6-9-13/h4-11H,2-3,12H2,1H3,(H,20,22)
InChIKeyZAHNETYOZZDLNH-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxo-2-phenylisoindol-4-yl)pentanamide?
The IUPAC name of N-(1,3-dioxo-2-phenylisoindol-4-yl)pentanamide (CID 2301106) is N-(1,3-dioxo-2-phenylisoindol-4-yl)pentanamide.
What is the SMILES notation for N-(1,3-dioxo-2-phenylisoindol-4-yl)pentanamide?
The canonical SMILES for N-(1,3-dioxo-2-phenylisoindol-4-yl)pentanamide is CCCCC(=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of N-(1,3-dioxo-2-phenylisoindol-4-yl)pentanamide?
The InChIKey is ZAHNETYOZZDLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-3-12-16(22)20-15-11-7-10-14-17(15)19(24)21(18(14)23)13-8-5-4-6-9-13/h4-11H,2-3,12H2,1H3,(H,20,22).
What are the key properties of N-(1,3-dioxo-2-phenylisoindol-4-yl)pentanamide?
N-(1,3-dioxo-2-phenylisoindol-4-yl)pentanamide has a molecular weight of 322.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxo-2-phenylisoindol-4-yl)pentanamide is sourced from PubChem (CID 2301106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).