methyl 2-[(3-oxo-2-propyl-1H-isoindole-4-carbonyl)amino]benzoate

C20H20N2O4 — CID 15990911

IUPACmethyl 2-[(3-oxo-2-propyl-1H-isoindole-4-carbonyl)amino]benzoate
SMILESCCCN1Cc2cccc(C(=O)Nc3ccccc3C(=O)OC)c2C1=O
InChIInChI=1S/C20H20N2O4/c1-3-11-22-12-13-7-6-9-15(17(13)19(22)24)18(23)21-16-10-5-4-8-14(16)20(25)26-2/h4-10H,3,11-12H2,1-2H3,(H,21,23)
InChIKeyFAMRRIIWJAHRHB-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.09
Rot. Bonds5

About methyl 2-[(3-oxo-2-propyl-1H-isoindole-4-carbonyl)amino]benzoate

methyl 2-[(3-oxo-2-propyl-1H-isoindole-4-carbonyl)amino]benzoate (PubChem CID 15990911) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 2-[(3-oxo-2-propyl-1H-isoindole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-oxo-2-propyl-1H-isoindole-4-carbonyl)amino]benzoate
PubChem CID15990911
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namemethyl 2-[(3-oxo-2-propyl-1H-isoindole-4-carbonyl)amino]benzoate
SMILESCCCN1Cc2cccc(C(=O)Nc3ccccc3C(=O)OC)c2C1=O
InChIInChI=1S/C20H20N2O4/c1-3-11-22-12-13-7-6-9-15(17(13)19(22)24)18(23)21-16-10-5-4-8-14(16)20(25)26-2/h4-10H,3,11-12H2,1-2H3,(H,21,23)
InChIKeyFAMRRIIWJAHRHB-UHFFFAOYSA-N
XLogP3.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(3-oxo-2-propyl-1H-isoindole-4-carbonyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-oxo-2-propyl-1H-isoindole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(3-oxo-2-propyl-1H-isoindole-4-carbonyl)amino]benzoate (CID 15990911) is methyl 2-[(3-oxo-2-propyl-1H-isoindole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(3-oxo-2-propyl-1H-isoindole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(3-oxo-2-propyl-1H-isoindole-4-carbonyl)amino]benzoate is CCCN1Cc2cccc(C(=O)Nc3ccccc3C(=O)OC)c2C1=O.
What is the InChIKey of methyl 2-[(3-oxo-2-propyl-1H-isoindole-4-carbonyl)amino]benzoate?
The InChIKey is FAMRRIIWJAHRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-11-22-12-13-7-6-9-15(17(13)19(22)24)18(23)21-16-10-5-4-8-14(16)20(25)26-2/h4-10H,3,11-12H2,1-2H3,(H,21,23).
What are the key properties of methyl 2-[(3-oxo-2-propyl-1H-isoindole-4-carbonyl)amino]benzoate?
methyl 2-[(3-oxo-2-propyl-1H-isoindole-4-carbonyl)amino]benzoate has a molecular weight of 352.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-oxo-2-propyl-1H-isoindole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 15990911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).