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

C16H20N2O3 — CID 2993998

IUPAC2-(2-methylpropyl)-1,3-dioxo-N-propylisoindole-5-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O
InChIInChI=1S/C16H20N2O3/c1-4-7-17-14(19)11-5-6-12-13(8-11)16(21)18(15(12)20)9-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3,(H,17,19)
InChIKeyFHMNJCYQEBGFSU-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.08
Rot. Bonds5

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

2-(2-methylpropyl)-1,3-dioxo-N-propylisoindole-5-carboxamide (PubChem CID 2993998) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,3-dioxo-N-propylisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-1,3-dioxo-N-propylisoindole-5-carboxamide
PubChem CID2993998
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(2-methylpropyl)-1,3-dioxo-N-propylisoindole-5-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O
InChIInChI=1S/C16H20N2O3/c1-4-7-17-14(19)11-5-6-12-13(8-11)16(21)18(15(12)20)9-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3,(H,17,19)
InChIKeyFHMNJCYQEBGFSU-UHFFFAOYSA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.08
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 2-(2-methylpropyl)-1,3-dioxo-N-propylisoindole-5-carboxamide?
The IUPAC name of 2-(2-methylpropyl)-1,3-dioxo-N-propylisoindole-5-carboxamide (CID 2993998) is 2-(2-methylpropyl)-1,3-dioxo-N-propylisoindole-5-carboxamide.
What is the SMILES notation for 2-(2-methylpropyl)-1,3-dioxo-N-propylisoindole-5-carboxamide?
The canonical SMILES for 2-(2-methylpropyl)-1,3-dioxo-N-propylisoindole-5-carboxamide is CCCNC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O.
What is the InChIKey of 2-(2-methylpropyl)-1,3-dioxo-N-propylisoindole-5-carboxamide?
The InChIKey is FHMNJCYQEBGFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-7-17-14(19)11-5-6-12-13(8-11)16(21)18(15(12)20)9-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-methylpropyl)-1,3-dioxo-N-propylisoindole-5-carboxamide?
2-(2-methylpropyl)-1,3-dioxo-N-propylisoindole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1,3-dioxo-N-propylisoindole-5-carboxamide is sourced from PubChem (CID 2993998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).