N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

C20H20N2O3 — CID 4793298

IUPACN-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccccc1N1C(=O)c2ccc(C(=O)NC(C)(C)C)cc2C1=O
InChIInChI=1S/C20H20N2O3/c1-12-7-5-6-8-16(12)22-18(24)14-10-9-13(11-15(14)19(22)25)17(23)21-20(2,3)4/h5-11H,1-4H3,(H,21,23)
InChIKeyXBHUTJPFTGJORK-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.32
Rot. Bonds2

About N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 4793298) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID4793298
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccccc1N1C(=O)c2ccc(C(=O)NC(C)(C)C)cc2C1=O
InChIInChI=1S/C20H20N2O3/c1-12-7-5-6-8-16(12)22-18(24)14-10-9-13(11-15(14)19(22)25)17(23)21-20(2,3)4/h5-11H,1-4H3,(H,21,23)
InChIKeyXBHUTJPFTGJORK-UHFFFAOYSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.32
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

2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 9488931
N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1364800
N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7961430
2-(2-methylphenyl)-1,3-dioxo-N-[(1S)-1-thiophen-2-ylethyl]isoindole-5-carboxamide
CID 51534415
N-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7900395
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 46485556
2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 5241135
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7959601
N-tert-butyl-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9320739
3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide
CID 168516556
2-(2-methylphenyl)-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide
CID 46557209
1,3-dichloropropan-2-yl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1036799

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 4793298) is N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is Cc1ccccc1N1C(=O)c2ccc(C(=O)NC(C)(C)C)cc2C1=O.
What is the InChIKey of N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is XBHUTJPFTGJORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12-7-5-6-8-16(12)22-18(24)14-10-9-13(11-15(14)19(22)25)17(23)21-20(2,3)4/h5-11H,1-4H3,(H,21,23).
What are the key properties of N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 4793298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).