N-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide

C25H24N2O5 — CID 95095174

IUPACN-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)[C@](O)(c3cccc(C)c3)c3ccccc32)cc1OC
InChIInChI=1S/C25H24N2O5/c1-16-7-6-8-17(13-16)25(30)19-9-4-5-10-20(19)27(24(25)29)15-23(28)26-18-11-12-21(31-2)22(14-18)32-3/h4-14,30H,15H2,1-3H3,(H,26,28)/t25-/m0/s1
InChIKeyVDOSRLXWWLGBJQ-VWLOTQADSA-N
MW432.48 g/mol
LogP3.23
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide (PubChem CID 95095174) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide
PubChem CID95095174
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)[C@](O)(c3cccc(C)c3)c3ccccc32)cc1OC
InChIInChI=1S/C25H24N2O5/c1-16-7-6-8-17(13-16)25(30)19-9-4-5-10-20(19)27(24(25)29)15-23(28)26-18-11-12-21(31-2)22(14-18)32-3/h4-14,30H,15H2,1-3H3,(H,26,28)/t25-/m0/s1
InChIKeyVDOSRLXWWLGBJQ-VWLOTQADSA-N
XLogP3.23
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53144104
2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide
CID 95095451
2-[(3R)-3-hydroxy-2-oxo-3-phenylindol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 95095552
2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 53144266
N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 95095195
2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 95095456
2-[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
CID 95095302
N-(3,5-dimethoxyphenyl)-2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)acetamide
CID 53144251
N-(3-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095513
2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 53144122
N-(2,4-dimethoxyphenyl)-2-[(3R)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095528
N-(3-chlorophenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095558

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide (CID 95095174) is N-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide is COc1ccc(NC(=O)CN2C(=O)[C@](O)(c3cccc(C)c3)c3ccccc32)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide?
The InChIKey is VDOSRLXWWLGBJQ-VWLOTQADSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-16-7-6-8-17(13-16)25(30)19-9-4-5-10-20(19)27(24(25)29)15-23(28)26-18-11-12-21(31-2)22(14-18)32-3/h4-14,30H,15H2,1-3H3,(H,26,28)/t25-/m0/s1.
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide has a molecular weight of 432.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide is sourced from PubChem (CID 95095174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).