methyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate

C20H22N2O3 — CID 109041537

IUPACmethyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
SMILESCOC(=O)c1ccc(NCCC(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C20H22N2O3/c1-14-13-16-5-3-4-6-18(16)22(14)19(23)11-12-21-17-9-7-15(8-10-17)20(24)25-2/h3-10,14,21H,11-13H2,1-2H3
InChIKeyYVGRAXIXODQVHD-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.25
Rot. Bonds5

About methyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate

methyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate (PubChem CID 109041537) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is methyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
PubChem CID109041537
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namemethyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
SMILESCOC(=O)c1ccc(NCCC(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C20H22N2O3/c1-14-13-16-5-3-4-6-18(16)22(14)19(23)11-12-21-17-9-7-15(8-10-17)20(24)25-2/h3-10,14,21H,11-13H2,1-2H3
InChIKeyYVGRAXIXODQVHD-UHFFFAOYSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate with MolForge

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Related Compounds

3-(4-ethoxyanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109039966
1-(2-methyl-2,3-dihydroindol-1-yl)-3-(4-propan-2-yloxyanilino)propan-1-one
CID 109040290
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(trifluoromethyl)anilino]propan-1-one
CID 109040861
methyl 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109041361
3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109042608
methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
CID 109010122
3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109015312
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
CID 109040701
methyl 4-[(E)-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]iminomethyl]benzoate
CID 42967704
1-(2-methyl-2,3-dihydroindol-1-yl)-4-(4-nitroanilino)butan-1-one
CID 24669459
3-(cyclopropylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 54924918

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate?
The IUPAC name of methyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate (CID 109041537) is methyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate?
The canonical SMILES for methyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate is COC(=O)c1ccc(NCCC(=O)N2c3ccccc3CC2C)cc1.
What is the InChIKey of methyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate?
The InChIKey is YVGRAXIXODQVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-13-16-5-3-4-6-18(16)22(14)19(23)11-12-21-17-9-7-15(8-10-17)20(24)25-2/h3-10,14,21H,11-13H2,1-2H3.
What are the key properties of methyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate?
methyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate has a molecular weight of 338.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate is sourced from PubChem (CID 109041537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).