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

C19H20N2O3 — CID 109034767

IUPACmethyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCCC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H20N2O3/c1-24-19(23)15-7-3-4-8-16(15)20-12-10-18(22)21-13-11-14-6-2-5-9-17(14)21/h2-9,20H,10-13H2,1H3
InChIKeyPESZNBQZHWAEPE-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.86
Rot. Bonds5

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

methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate (PubChem CID 109034767) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
PubChem CID109034767
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCCC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H20N2O3/c1-24-19(23)15-7-3-4-8-16(15)20-12-10-18(22)21-13-11-14-6-2-5-9-17(14)21/h2-9,20H,10-13H2,1H3
InChIKeyPESZNBQZHWAEPE-UHFFFAOYSA-N
XLogP2.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
CID 109034949
ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
CID 109034988
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108953302
1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethylanilino)propan-1-one
CID 109034724
methyl 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109041361
1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one
CID 109034719
1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one
CID 109034726
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542921
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide
CID 2430048

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate (CID 109034767) is methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate is COC(=O)c1ccccc1NCCC(=O)N1CCc2ccccc21.
What is the InChIKey of methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate?
The InChIKey is PESZNBQZHWAEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-19(23)15-7-3-4-8-16(15)20-12-10-18(22)21-13-11-14-6-2-5-9-17(14)21/h2-9,20H,10-13H2,1H3.
What are the key properties of methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate?
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate has a molecular weight of 324.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate is sourced from PubChem (CID 109034767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).