(3R)-1-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylindol-2-one

C21H23NO2 — CID 166440502

IUPAC(3R)-1-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylindol-2-one
SMILESCc1ccccc1C(=O)C[C@]1(C(C)C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C21H23NO2/c1-14(2)21(13-19(23)16-10-6-5-9-15(16)3)17-11-7-8-12-18(17)22(4)20(21)24/h5-12,14H,13H2,1-4H3/t21-/m1/s1
InChIKeyKGNYVNWWKHSWHX-OAQYLSRUSA-N
MW321.42 g/mol
LogP4.14
Rot. Bonds4

About (3R)-1-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylindol-2-one

(3R)-1-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylindol-2-one (PubChem CID 166440502) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (3R)-1-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylindol-2-one.

Molecular Properties

Compound Name(3R)-1-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylindol-2-one
PubChem CID166440502
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name(3R)-1-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylindol-2-one
SMILESCc1ccccc1C(=O)C[C@]1(C(C)C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C21H23NO2/c1-14(2)21(13-19(23)16-10-6-5-9-15(16)3)17-11-7-8-12-18(17)22(4)20(21)24/h5-12,14H,13H2,1-4H3/t21-/m1/s1
InChIKeyKGNYVNWWKHSWHX-OAQYLSRUSA-N
XLogP4.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one
CID 166439822
(3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one
CID 138984006
(3R)-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one
CID 957730
(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 806504
(3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 798655
(3S)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 957706
(3R)-3-hydroxy-1-methyl-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]indol-2-one
CID 957814
3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[2-(2-methylphenoxy)ethyl]indol-2-one
CID 17131946
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
methyl (3R)-1-methyl-2-oxo-3-propan-2-ylindole-3-carboxylate
CID 171828755
(3R)-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
CID 823783
(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylphenyl)-2-oxoethyl]indol-2-one
CID 158110521

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylindol-2-one?
The IUPAC name of (3R)-1-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylindol-2-one (CID 166440502) is (3R)-1-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylindol-2-one.
What is the SMILES notation for (3R)-1-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylindol-2-one?
The canonical SMILES for (3R)-1-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylindol-2-one is Cc1ccccc1C(=O)C[C@]1(C(C)C)C(=O)N(C)c2ccccc21.
What is the InChIKey of (3R)-1-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylindol-2-one?
The InChIKey is KGNYVNWWKHSWHX-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H23NO2/c1-14(2)21(13-19(23)16-10-6-5-9-15(16)3)17-11-7-8-12-18(17)22(4)20(21)24/h5-12,14H,13H2,1-4H3/t21-/m1/s1.
What are the key properties of (3R)-1-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylindol-2-one?
(3R)-1-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylindol-2-one has a molecular weight of 321.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylindol-2-one is sourced from PubChem (CID 166440502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).