(3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one

C20H23NO — CID 138984006

IUPAC(3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one
SMILESCc1ccc(C[C@@]2(C(C)C)C(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C20H23NO/c1-14(2)20(13-16-11-9-15(3)10-12-16)17-7-5-6-8-18(17)21(4)19(20)22/h5-12,14H,13H2,1-4H3/t20-/m0/s1
InChIKeyWSRWEVMTLHGPRK-FQEVSTJZSA-N
MW293.41 g/mol
LogP4.11
Rot. Bonds3

About (3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one

(3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one (PubChem CID 138984006) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one.

Molecular Properties

Compound Name(3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one
PubChem CID138984006
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one
SMILESCc1ccc(C[C@@]2(C(C)C)C(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C20H23NO/c1-14(2)20(13-16-11-9-15(3)10-12-16)17-7-5-6-8-18(17)21(4)19(20)22/h5-12,14H,13H2,1-4H3/t20-/m0/s1
InChIKeyWSRWEVMTLHGPRK-FQEVSTJZSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-[(4-methylphenyl)methyl]-3-(trifluoromethyl)indol-2-one
CID 132820776
(3R)-1-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylindol-2-one
CID 166440502
(3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one
CID 166439822
3-benzyl-3-hydroxy-1,5-dimethylindol-2-one
CID 10912492
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide
CID 95555970
3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one
CID 132820779
3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one
CID 71729335
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
(3R)-1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-one
CID 146162623
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one
CID 7281362
1'-methyl-2-(4-methylphenyl)spiro[2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-12,3'-indole]-2',10,14-trione
CID 101495322

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one?
The IUPAC name of (3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one (CID 138984006) is (3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one.
What is the SMILES notation for (3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one?
The canonical SMILES for (3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one is Cc1ccc(C[C@@]2(C(C)C)C(=O)N(C)c3ccccc32)cc1.
What is the InChIKey of (3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one?
The InChIKey is WSRWEVMTLHGPRK-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23NO/c1-14(2)20(13-16-11-9-15(3)10-12-16)17-7-5-6-8-18(17)21(4)19(20)22/h5-12,14H,13H2,1-4H3/t20-/m0/s1.
What are the key properties of (3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one?
(3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one has a molecular weight of 293.41 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one is sourced from PubChem (CID 138984006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).