2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-N-piperidin-1-ylisoindole-4-carboxamide

C26H31N3O3 — CID 70493855

IUPAC2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-N-piperidin-1-ylisoindole-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)NN3CCCCC3)c2C1=O
InChIInChI=1S/C26H31N3O3/c1-16(2)18-10-8-11-19(17(3)4)23(18)29-25(31)21-13-9-12-20(22(21)26(29)32)24(30)27-28-14-6-5-7-15-28/h8-13,16-17H,5-7,14-15H2,1-4H3,(H,27,30)
InChIKeyGBNPKBWCPZIXDJ-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.86
Rot. Bonds5

About 2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-N-piperidin-1-ylisoindole-4-carboxamide

2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-N-piperidin-1-ylisoindole-4-carboxamide (PubChem CID 70493855) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-N-piperidin-1-ylisoindole-4-carboxamide.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-N-piperidin-1-ylisoindole-4-carboxamide
PubChem CID70493855
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-N-piperidin-1-ylisoindole-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)NN3CCCCC3)c2C1=O
InChIInChI=1S/C26H31N3O3/c1-16(2)18-10-8-11-19(17(3)4)23(18)29-25(31)21-13-9-12-20(22(21)26(29)32)24(30)27-28-14-6-5-7-15-28/h8-13,16-17H,5-7,14-15H2,1-4H3,(H,27,30)
InChIKeyGBNPKBWCPZIXDJ-UHFFFAOYSA-N
XLogP4.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.86
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-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-N-piperidin-1-ylisoindole-4-carboxamide?
The IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-N-piperidin-1-ylisoindole-4-carboxamide (CID 70493855) is 2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-N-piperidin-1-ylisoindole-4-carboxamide.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-N-piperidin-1-ylisoindole-4-carboxamide?
The canonical SMILES for 2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-N-piperidin-1-ylisoindole-4-carboxamide is CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)NN3CCCCC3)c2C1=O.
What is the InChIKey of 2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-N-piperidin-1-ylisoindole-4-carboxamide?
The InChIKey is GBNPKBWCPZIXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-16(2)18-10-8-11-19(17(3)4)23(18)29-25(31)21-13-9-12-20(22(21)26(29)32)24(30)27-28-14-6-5-7-15-28/h8-13,16-17H,5-7,14-15H2,1-4H3,(H,27,30).
What are the key properties of 2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-N-piperidin-1-ylisoindole-4-carboxamide?
2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-N-piperidin-1-ylisoindole-4-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-N-piperidin-1-ylisoindole-4-carboxamide is sourced from PubChem (CID 70493855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).