ethyl 4-(2,3-dihydroindole-1-carbonylamino)benzoate

C18H18N2O3 — CID 971721

IUPACethyl 4-(2,3-dihydroindole-1-carbonylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H18N2O3/c1-2-23-17(21)14-7-9-15(10-8-14)19-18(22)20-12-11-13-5-3-4-6-16(13)20/h3-10H,2,11-12H2,1H3,(H,19,22)
InChIKeyCCEPGXGFOAHCLJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.46
Rot. Bonds3

About ethyl 4-(2,3-dihydroindole-1-carbonylamino)benzoate

ethyl 4-(2,3-dihydroindole-1-carbonylamino)benzoate (PubChem CID 971721) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl 4-(2,3-dihydroindole-1-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(2,3-dihydroindole-1-carbonylamino)benzoate
PubChem CID971721
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Nameethyl 4-(2,3-dihydroindole-1-carbonylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H18N2O3/c1-2-23-17(21)14-7-9-15(10-8-14)19-18(22)20-12-11-13-5-3-4-6-16(13)20/h3-10H,2,11-12H2,1H3,(H,19,22)
InChIKeyCCEPGXGFOAHCLJ-UHFFFAOYSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(2,3-dihydroindole-1-carbonylamino)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 ethyl 4-(2,3-dihydroindole-1-carbonylamino)benzoate?
The IUPAC name of ethyl 4-(2,3-dihydroindole-1-carbonylamino)benzoate (CID 971721) is ethyl 4-(2,3-dihydroindole-1-carbonylamino)benzoate.
What is the SMILES notation for ethyl 4-(2,3-dihydroindole-1-carbonylamino)benzoate?
The canonical SMILES for ethyl 4-(2,3-dihydroindole-1-carbonylamino)benzoate is CCOC(=O)c1ccc(NC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of ethyl 4-(2,3-dihydroindole-1-carbonylamino)benzoate?
The InChIKey is CCEPGXGFOAHCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-23-17(21)14-7-9-15(10-8-14)19-18(22)20-12-11-13-5-3-4-6-16(13)20/h3-10H,2,11-12H2,1H3,(H,19,22).
What are the key properties of ethyl 4-(2,3-dihydroindole-1-carbonylamino)benzoate?
ethyl 4-(2,3-dihydroindole-1-carbonylamino)benzoate has a molecular weight of 310.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-dihydroindole-1-carbonylamino)benzoate is sourced from PubChem (CID 971721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).