N-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide

C25H22N2O3 — CID 9320693

IUPACN-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide
SMILESCc1cc(C)c(N2C(=O)c3ccc(C(=O)NCc4ccccc4)cc3C2=O)c(C)c1
InChIInChI=1S/C25H22N2O3/c1-15-11-16(2)22(17(3)12-15)27-24(29)20-10-9-19(13-21(20)25(27)30)23(28)26-14-18-7-5-4-6-8-18/h4-13H,14H2,1-3H3,(H,26,28)
InChIKeyNQWIERBULQYFHK-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.34
Rot. Bonds4

About N-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide

N-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide (PubChem CID 9320693) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide
PubChem CID9320693
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC NameN-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide
SMILESCc1cc(C)c(N2C(=O)c3ccc(C(=O)NCc4ccccc4)cc3C2=O)c(C)c1
InChIInChI=1S/C25H22N2O3/c1-15-11-16(2)22(17(3)12-15)27-24(29)20-10-9-19(13-21(20)25(27)30)23(28)26-14-18-7-5-4-6-8-18/h4-13H,14H2,1-3H3,(H,26,28)
InChIKeyNQWIERBULQYFHK-UHFFFAOYSA-N
XLogP4.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 19132955
N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 3391897
3-[[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]benzoic acid
CID 108767656
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7959601
N-[(3-chlorophenyl)methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9401718
2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 9488931
2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
CID 17361193
2-(2,5-dimethylphenyl)-N-[(3-ethoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 55784326
N-benzyl-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 1026487
3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 143752516
2-(2,6-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 139199918
methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 55732320

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide?
The IUPAC name of N-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide (CID 9320693) is N-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide.
What is the SMILES notation for N-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide?
The canonical SMILES for N-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide is Cc1cc(C)c(N2C(=O)c3ccc(C(=O)NCc4ccccc4)cc3C2=O)c(C)c1.
What is the InChIKey of N-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide?
The InChIKey is NQWIERBULQYFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-15-11-16(2)22(17(3)12-15)27-24(29)20-10-9-19(13-21(20)25(27)30)23(28)26-14-18-7-5-4-6-8-18/h4-13H,14H2,1-3H3,(H,26,28).
What are the key properties of N-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide?
N-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide is sourced from PubChem (CID 9320693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).