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

C20H20N2O4 — CID 113176111

IUPACmethyl 2-[acetyl-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(CC(=O)N1CCc2ccccc21)C(C)=O
InChIInChI=1S/C20H20N2O4/c1-14(23)22(18-10-6-4-8-16(18)20(25)26-2)13-19(24)21-12-11-15-7-3-5-9-17(15)21/h3-10H,11-13H2,1-2H3
InChIKeyINZSOELVHHGYML-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.42
Rot. Bonds4

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

methyl 2-[acetyl-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate (PubChem CID 113176111) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 2-[acetyl-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[acetyl-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
PubChem CID113176111
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namemethyl 2-[acetyl-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(CC(=O)N1CCc2ccccc21)C(C)=O
InChIInChI=1S/C20H20N2O4/c1-14(23)22(18-10-6-4-8-16(18)20(25)26-2)13-19(24)21-12-11-15-7-3-5-9-17(15)21/h3-10H,11-13H2,1-2H3
InChIKeyINZSOELVHHGYML-UHFFFAOYSA-N
XLogP2.42
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[acetyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]benzoate
CID 113176076
N-(4-chloro-2,5-dimethoxyphenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113180259
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108953302
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-methoxyphenyl)acetamide
CID 113128782
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109034767
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
N-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113178299
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)acetamide
CID 113167942
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 55061280
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542921

Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyl-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 2-[acetyl-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate (CID 113176111) is methyl 2-[acetyl-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 2-[acetyl-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 2-[acetyl-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate is COC(=O)c1ccccc1N(CC(=O)N1CCc2ccccc21)C(C)=O.
What is the InChIKey of methyl 2-[acetyl-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate?
The InChIKey is INZSOELVHHGYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-14(23)22(18-10-6-4-8-16(18)20(25)26-2)13-19(24)21-12-11-15-7-3-5-9-17(15)21/h3-10H,11-13H2,1-2H3.
What are the key properties of methyl 2-[acetyl-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate?
methyl 2-[acetyl-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate has a molecular weight of 352.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[acetyl-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 113176111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).