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

C19H20N2O3 — CID 109010122

IUPACmethyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1cccc(NCC(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C19H20N2O3/c1-13-10-14-6-3-4-9-17(14)21(13)18(22)12-20-16-8-5-7-15(11-16)19(23)24-2/h3-9,11,13,20H,10,12H2,1-2H3
InChIKeyORFSNYLTVDBWFK-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.86
Rot. Bonds4

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

methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate (PubChem CID 109010122) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
PubChem CID109010122
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1cccc(NCC(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C19H20N2O3/c1-13-10-14-6-3-4-9-17(14)21(13)18(22)12-20-16-8-5-7-15(11-16)19(23)24-2/h3-9,11,13,20H,10,12H2,1-2H3
InChIKeyORFSNYLTVDBWFK-UHFFFAOYSA-N
XLogP2.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylmethyl]benzoate
CID 42886258
methyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109041537
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
CID 4884596
methyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109200510
methyl 3-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazin-2-yl]amino]benzoate
CID 109294208
2-[3-chloro-4-(difluoromethoxy)anilino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9103280
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
N-methyl-2-[4-[[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]phenyl]acetamide
CID 37224123
3-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 113001074
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone
CID 2339721
[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842478
2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9079616

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate (CID 109010122) is methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate is COC(=O)c1cccc(NCC(=O)N2c3ccccc3CC2C)c1.
What is the InChIKey of methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate?
The InChIKey is ORFSNYLTVDBWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-10-14-6-3-4-9-17(14)21(13)18(22)12-20-16-8-5-7-15(11-16)19(23)24-2/h3-9,11,13,20H,10,12H2,1-2H3.
What are the key properties of methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate?
methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate has a molecular weight of 324.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 109010122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).