methyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate

C25H22N2O5 — CID 53144125

IUPACmethyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN1C(=O)C(O)(c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C25H22N2O5/c1-16-11-13-17(14-12-16)25(31)19-8-4-6-10-21(19)27(24(25)30)15-22(28)26-20-9-5-3-7-18(20)23(29)32-2/h3-14,31H,15H2,1-2H3,(H,26,28)
InChIKeyNAJCPOCRPTWUQA-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.00
Rot. Bonds5

About methyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate

methyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate (PubChem CID 53144125) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is methyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate
PubChem CID53144125
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Namemethyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN1C(=O)C(O)(c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C25H22N2O5/c1-16-11-13-17(14-12-16)25(31)19-8-4-6-10-21(19)27(24(25)30)15-22(28)26-20-9-5-3-7-18(20)23(29)32-2/h3-14,31H,15H2,1-2H3,(H,26,28)
InChIKeyNAJCPOCRPTWUQA-UHFFFAOYSA-N
XLogP3.00
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 53144122
methyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate
CID 95095338
N-(2-fluorophenyl)-2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 53144139
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 95095250
2-[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
CID 95095302
N-(2,4-dimethylphenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095499
N-(2,4-dimethoxyphenyl)-2-[(3R)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095528
N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 95095195
2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 53144266
methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate
CID 60527491
2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 95095431
N-(4-ethylphenyl)-2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)acetamide
CID 53144238

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate (CID 53144125) is methyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CN1C(=O)C(O)(c2ccc(C)cc2)c2ccccc21.
What is the InChIKey of methyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate?
The InChIKey is NAJCPOCRPTWUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-16-11-13-17(14-12-16)25(31)19-8-4-6-10-21(19)27(24(25)30)15-22(28)26-20-9-5-3-7-18(20)23(29)32-2/h3-14,31H,15H2,1-2H3,(H,26,28).
What are the key properties of methyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate?
methyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate has a molecular weight of 430.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate is sourced from PubChem (CID 53144125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).