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

C20H22N2O3 — CID 109041361

IUPACmethyl 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C20H22N2O3/c1-14-13-15-7-3-6-10-18(15)22(14)19(23)11-12-21-17-9-5-4-8-16(17)20(24)25-2/h3-10,14,21H,11-13H2,1-2H3
InChIKeyHVYSXDGGOBLRIS-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.25
Rot. Bonds5

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

methyl 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate (PubChem CID 109041361) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is methyl 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
PubChem CID109041361
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namemethyl 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C20H22N2O3/c1-14-13-15-7-3-6-10-18(15)22(14)19(23)11-12-21-17-9-5-4-8-16(17)20(24)25-2/h3-10,14,21H,11-13H2,1-2H3
InChIKeyHVYSXDGGOBLRIS-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 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]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

Related Compounds

methyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109041537
1-(2-methyl-2,3-dihydroindol-1-yl)-3-(2-propan-2-ylanilino)propan-1-one
CID 109036822
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
CID 109040701
3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109038364
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109034767
3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109015312
2-(2-acetylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9103764
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
CID 109034949
3-(cyclopropylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 54924918
1-(2-methyl-2,3-dihydroindol-1-yl)-3-(4-propan-2-yloxyanilino)propan-1-one
CID 109040290
3-(4-ethoxyanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109039966

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate (CID 109041361) is methyl 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate is COC(=O)c1ccccc1NCCC(=O)N1c2ccccc2CC1C.
What is the InChIKey of methyl 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate?
The InChIKey is HVYSXDGGOBLRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-13-15-7-3-6-10-18(15)22(14)19(23)11-12-21-17-9-5-4-8-16(17)20(24)25-2/h3-10,14,21H,11-13H2,1-2H3.
What are the key properties of methyl 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate?
methyl 2-[[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 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate is sourced from PubChem (CID 109041361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).