(3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one

C19H21NO4 — CID 26367950

IUPAC(3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCOc1cc(OC)c(OC)cc1C[C@H]1C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C19H21NO4/c1-11-5-6-15-13(7-11)14(19(21)20-15)8-12-9-17(23-3)18(24-4)10-16(12)22-2/h5-7,9-10,14H,8H2,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeyJIFZDAVUGLWZRC-CQSZACIVSA-N
MW327.38 g/mol
LogP3.30
Rot. Bonds5

About (3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one

(3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 26367950) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID26367950
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCOc1cc(OC)c(OC)cc1C[C@H]1C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C19H21NO4/c1-11-5-6-15-13(7-11)14(19(21)20-15)8-12-9-17(23-3)18(24-4)10-16(12)22-2/h5-7,9-10,14H,8H2,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeyJIFZDAVUGLWZRC-CQSZACIVSA-N
XLogP3.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 43912483
3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912315
(3S)-3-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367527
(3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367241
(3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367542
7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912363
(3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 51539527
(3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367502
(3R)-3-[(3-bromo-4,5-diethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 95059746
(3S)-3-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 26367525
(3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 51539730
5-bromo-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912764

Frequently Asked Questions

What is the IUPAC name of (3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one (CID 26367950) is (3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one is COc1cc(OC)c(OC)cc1C[C@H]1C(=O)Nc2ccc(C)cc21.
What is the InChIKey of (3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is JIFZDAVUGLWZRC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21NO4/c1-11-5-6-15-13(7-11)14(19(21)20-15)8-12-9-17(23-3)18(24-4)10-16(12)22-2/h5-7,9-10,14H,8H2,1-4H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
(3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 327.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 26367950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).