(3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one

C18H19NO — CID 26367241

IUPAC(3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc(C)c(C[C@@H]2C(=O)Nc3ccc(C)cc32)c1
InChIInChI=1S/C18H19NO/c1-11-4-6-13(3)14(8-11)10-16-15-9-12(2)5-7-17(15)19-18(16)20/h4-9,16H,10H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyUKGKEZRNTUXRHY-INIZCTEOSA-N
MW265.36 g/mol
LogP3.89
Rot. Bonds2

About (3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one

(3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one (PubChem CID 26367241) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
PubChem CID26367241
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc(C)c(C[C@@H]2C(=O)Nc3ccc(C)cc32)c1
InChIInChI=1S/C18H19NO/c1-11-4-6-13(3)14(8-11)10-16-15-9-12(2)5-7-17(15)19-18(16)20/h4-9,16H,10H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyUKGKEZRNTUXRHY-INIZCTEOSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-1,3-dihydroindol-2-one
CID 43912610
(3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 26367950
3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 43912483
(3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367542
(3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367502
(3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 51539527
(3S)-3-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367527
3-(1-benzofuran-2-ylmethyl)-5-methyl-1,3-dihydroindol-2-one
CID 53044232
(2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide
CID 166893790
(3R)-3-[(3-bromo-4,5-diethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 95059746
5-bromo-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-1,3-dihydroindol-2-one
CID 174456109
3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912552

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one (CID 26367241) is (3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one is Cc1ccc(C)c(C[C@@H]2C(=O)Nc3ccc(C)cc32)c1.
What is the InChIKey of (3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is UKGKEZRNTUXRHY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19NO/c1-11-4-6-13(3)14(8-11)10-16-15-9-12(2)5-7-17(15)19-18(16)20/h4-9,16H,10H2,1-3H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one?
(3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 265.36 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 26367241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).