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

C19H18N2O4 — CID 108953302

IUPACmethyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H18N2O4/c1-25-19(24)14-7-3-4-8-15(14)20-17(22)12-18(23)21-11-10-13-6-2-5-9-16(13)21/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyMBGBUGOSGCHZAW-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.39
Rot. Bonds4

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

methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate (PubChem CID 108953302) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate
PubChem CID108953302
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H18N2O4/c1-25-19(24)14-7-3-4-8-15(14)20-17(22)12-18(23)21-11-10-13-6-2-5-9-16(13)21/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyMBGBUGOSGCHZAW-UHFFFAOYSA-N
XLogP2.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109034767
methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109141365
N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953344
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542921
methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
CID 109034949
3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide
CID 23522461
3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide
CID 67615557
3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
CID 108953092
N-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953321
N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953265
methyl 2-[acetyl-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
CID 113176111

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate (CID 108953302) is methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CC(=O)N1CCc2ccccc21.
What is the InChIKey of methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate?
The InChIKey is MBGBUGOSGCHZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-25-19(24)14-7-3-4-8-15(14)20-17(22)12-18(23)21-11-10-13-6-2-5-9-16(13)21/h2-9H,10-12H2,1H3,(H,20,22).
What are the key properties of methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate?
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate has a molecular weight of 338.36 g/mol, XLogP of 2.39, 4 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-oxopropanoyl]amino]benzoate is sourced from PubChem (CID 108953302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).