5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate

C21H19N2O5- — CID 7309248

IUPAC5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate
SMILESCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c(C(=O)[O-])c1
InChIInChI=1S/C21H20N2O5/c1-11(2)10-23-19(25)14-6-5-13(9-15(14)20(23)26)18(24)22-17-7-4-12(3)8-16(17)21(27)28/h4-9,11H,10H2,1-3H3,(H,22,24)(H,27,28)/p-1
InChIKeyGRXRTPKSQQTYQE-UHFFFAOYSA-M
MW379.39 g/mol
LogP1.86
Rot. Bonds5

About 5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate

5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate (PubChem CID 7309248) has the molecular formula C21H19N2O5- and a molecular weight of 379.39 g/mol. Its IUPAC name is 5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate.

Molecular Properties

Compound Name5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate
PubChem CID7309248
Molecular FormulaC21H19N2O5-
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate
SMILESCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c(C(=O)[O-])c1
InChIInChI=1S/C21H20N2O5/c1-11(2)10-23-19(25)14-6-5-13(9-15(14)20(23)26)18(24)22-17-7-4-12(3)8-16(17)21(27)28/h4-9,11H,10H2,1-3H3,(H,22,24)(H,27,28)/p-1
InChIKeyGRXRTPKSQQTYQE-UHFFFAOYSA-M
XLogP1.86
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-tert-butyl-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9320739
N-(4-hydroxy-2-methylphenyl)-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 17380462
5-bromo-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoate
CID 2215982
2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]-4-nitrophenolate
CID 7308211
N-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 4825497
N-(2,5-dimethoxyphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 1330294
N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26915292
N-(2,5-dimethylphenyl)-1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide
CID 2596518
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108751632
2-[[1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carbonyl]amino]benzoate
CID 6982548
N-(1H-indol-6-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 39354797
N-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108540249

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate?
The IUPAC name of 5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate (CID 7309248) is 5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate.
What is the SMILES notation for 5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate?
The canonical SMILES for 5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate is Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c(C(=O)[O-])c1.
What is the InChIKey of 5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate?
The InChIKey is GRXRTPKSQQTYQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H20N2O5/c1-11(2)10-23-19(25)14-6-5-13(9-15(14)20(23)26)18(24)22-17-7-4-12(3)8-16(17)21(27)28/h4-9,11H,10H2,1-3H3,(H,22,24)(H,27,28)/p-1.
What are the key properties of 5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate?
5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate has a molecular weight of 379.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate is sourced from PubChem (CID 7309248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).