2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide

C24H22N2O4 — CID 53144104

IUPAC2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)C(O)(c3cccc(C)c3)c3ccccc32)cc1
InChIInChI=1S/C24H22N2O4/c1-16-6-5-7-17(14-16)24(29)20-8-3-4-9-21(20)26(23(24)28)15-22(27)25-18-10-12-19(30-2)13-11-18/h3-14,29H,15H2,1-2H3,(H,25,27)
InChIKeyISUGLUZSJTYDSB-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.22
Rot. Bonds5

About 2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide

2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 53144104) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID53144104
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)C(O)(c3cccc(C)c3)c3ccccc32)cc1
InChIInChI=1S/C24H22N2O4/c1-16-6-5-7-17(14-16)24(29)20-8-3-4-9-21(20)26(23(24)28)15-22(27)25-18-10-12-19(30-2)13-11-18/h3-14,29H,15H2,1-2H3,(H,25,27)
InChIKeyISUGLUZSJTYDSB-UHFFFAOYSA-N
XLogP3.22
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 53144266
N-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 95095174
2-[(3R)-3-hydroxy-2-oxo-3-phenylindol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 95095552
N-(3,5-dimethoxyphenyl)-2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)acetamide
CID 53144251
2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide
CID 95095451
2-[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
CID 95095302
2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 95095456
N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 95095195
N-(2,4-dimethoxyphenyl)-2-[(3R)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095528
N-(4-ethylphenyl)-2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)acetamide
CID 53144238
N-(4-bromophenyl)-2-[(3R)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095563
N-(3-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095513

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide (CID 53144104) is 2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2C(=O)C(O)(c3cccc(C)c3)c3ccccc32)cc1.
What is the InChIKey of 2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is ISUGLUZSJTYDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-16-6-5-7-17(14-16)24(29)20-8-3-4-9-21(20)26(23(24)28)15-22(27)25-18-10-12-19(30-2)13-11-18/h3-14,29H,15H2,1-2H3,(H,25,27).
What are the key properties of 2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 402.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 53144104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).