2-(3-methylbutyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide

C19H24N2O4 — CID 2965911

IUPAC2-(3-methylbutyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide
SMILESCC(C)CCN1C(=O)c2ccc(C(=O)NCC3CCCO3)cc2C1=O
InChIInChI=1S/C19H24N2O4/c1-12(2)7-8-21-18(23)15-6-5-13(10-16(15)19(21)24)17(22)20-11-14-4-3-9-25-14/h5-6,10,12,14H,3-4,7-9,11H2,1-2H3,(H,20,22)
InChIKeyZVNOZMQKLILRAD-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.24
Rot. Bonds6

About 2-(3-methylbutyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide

2-(3-methylbutyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide (PubChem CID 2965911) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(3-methylbutyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylbutyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide
PubChem CID2965911
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-(3-methylbutyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide
SMILESCC(C)CCN1C(=O)c2ccc(C(=O)NCC3CCCO3)cc2C1=O
InChIInChI=1S/C19H24N2O4/c1-12(2)7-8-21-18(23)15-6-5-13(10-16(15)19(21)24)17(22)20-11-14-4-3-9-25-14/h5-6,10,12,14H,3-4,7-9,11H2,1-2H3,(H,20,22)
InChIKeyZVNOZMQKLILRAD-UHFFFAOYSA-N
XLogP2.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-methylbutyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The IUPAC name of 2-(3-methylbutyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide (CID 2965911) is 2-(3-methylbutyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide.
What is the SMILES notation for 2-(3-methylbutyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The canonical SMILES for 2-(3-methylbutyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide is CC(C)CCN1C(=O)c2ccc(C(=O)NCC3CCCO3)cc2C1=O.
What is the InChIKey of 2-(3-methylbutyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The InChIKey is ZVNOZMQKLILRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12(2)7-8-21-18(23)15-6-5-13(10-16(15)19(21)24)17(22)20-11-14-4-3-9-25-14/h5-6,10,12,14H,3-4,7-9,11H2,1-2H3,(H,20,22).
What are the key properties of 2-(3-methylbutyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
2-(3-methylbutyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide is sourced from PubChem (CID 2965911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).