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

C18H19NO2 — CID 51539527

IUPAC(3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
SMILESCCOc1ccc(C[C@H]2C(=O)Nc3ccc(C)cc32)cc1
InChIInChI=1S/C18H19NO2/c1-3-21-14-7-5-13(6-8-14)11-16-15-10-12(2)4-9-17(15)19-18(16)20/h4-10,16H,3,11H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyMJXZKIZAUUAKKS-MRXNPFEDSA-N
MW281.36 g/mol
LogP3.67
Rot. Bonds4

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

(3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one (PubChem CID 51539527) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
PubChem CID51539527
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
SMILESCCOc1ccc(C[C@H]2C(=O)Nc3ccc(C)cc32)cc1
InChIInChI=1S/C18H19NO2/c1-3-21-14-7-5-13(6-8-14)11-16-15-10-12(2)4-9-17(15)19-18(16)20/h4-10,16H,3,11H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyMJXZKIZAUUAKKS-MRXNPFEDSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 26367123
(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
3-(4-ethoxyanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43191389
(3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367241
(3S)-3-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367527
3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912552
(3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367542
(3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 26367950
(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
6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 154718795

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one (CID 51539527) is (3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one is CCOc1ccc(C[C@H]2C(=O)Nc3ccc(C)cc32)cc1.
What is the InChIKey of (3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is MJXZKIZAUUAKKS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-21-14-7-5-13(6-8-14)11-16-15-10-12(2)4-9-17(15)19-18(16)20/h4-10,16H,3,11H2,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one?
(3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 51539527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).