2-methyl-N-[3-(2-methylpropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide

C21H21N3O4 — CID 1288943

IUPAC2-methyl-N-[3-(2-methylpropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1
InChIInChI=1S/C21H21N3O4/c1-12(2)11-22-18(25)13-5-4-6-15(9-13)23-19(26)14-7-8-16-17(10-14)21(28)24(3)20(16)27/h4-10,12H,11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyFGRDRJSFYCNPAT-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.55
Rot. Bonds5

About 2-methyl-N-[3-(2-methylpropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide

2-methyl-N-[3-(2-methylpropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 1288943) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methylpropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methylpropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID1288943
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-methyl-N-[3-(2-methylpropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1
InChIInChI=1S/C21H21N3O4/c1-12(2)11-22-18(25)13-5-4-6-15(9-13)23-19(26)14-7-8-16-17(10-14)21(28)24(3)20(16)27/h4-10,12H,11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyFGRDRJSFYCNPAT-UHFFFAOYSA-N
XLogP2.55
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
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-methyl-N-[3-(2-methylpropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-methyl-N-[3-(2-methylpropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide (CID 1288943) is 2-methyl-N-[3-(2-methylpropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(2-methylpropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(2-methylpropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide is CC(C)CNC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1.
What is the InChIKey of 2-methyl-N-[3-(2-methylpropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is FGRDRJSFYCNPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-12(2)11-22-18(25)13-5-4-6-15(9-13)23-19(26)14-7-8-16-17(10-14)21(28)24(3)20(16)27/h4-10,12H,11H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 2-methyl-N-[3-(2-methylpropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
2-methyl-N-[3-(2-methylpropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methylpropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 1288943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).