(3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one

C19H21NO3 — CID 26367875

IUPAC(3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)[C@H](Cc2cc(OC)ccc2OC)c2ccccc21
InChIInChI=1S/C19H21NO3/c1-4-20-17-8-6-5-7-15(17)16(19(20)21)12-13-11-14(22-2)9-10-18(13)23-3/h5-11,16H,4,12H2,1-3H3/t16-/m1/s1
InChIKeyNMQUVTACCQRELS-MRXNPFEDSA-N
MW311.38 g/mol
LogP3.40
Rot. Bonds5

About (3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one

(3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one (PubChem CID 26367875) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
PubChem CID26367875
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)[C@H](Cc2cc(OC)ccc2OC)c2ccccc21
InChIInChI=1S/C19H21NO3/c1-4-20-17-8-6-5-7-15(17)16(19(20)21)12-13-11-14(22-2)9-10-18(13)23-3/h5-11,16H,4,12H2,1-3H3/t16-/m1/s1
InChIKeyNMQUVTACCQRELS-MRXNPFEDSA-N
XLogP3.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 51539737
(3R)-1-ethyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 26367748
(3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
CID 26367906
(3S)-3-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
CID 95059760
(3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one
CID 26367911
1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one
CID 141342791
5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 43912718
(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126120168
3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 43912424
1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 43912762
1-benzyl-6-bromo-3-[(2-methoxyphenyl)methyl]-3H-indol-2-one
CID 139259304
(3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one
CID 26367927

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one?
The IUPAC name of (3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one (CID 26367875) is (3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one.
What is the SMILES notation for (3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one?
The canonical SMILES for (3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one is CCN1C(=O)[C@H](Cc2cc(OC)ccc2OC)c2ccccc21.
What is the InChIKey of (3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one?
The InChIKey is NMQUVTACCQRELS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21NO3/c1-4-20-17-8-6-5-7-15(17)16(19(20)21)12-13-11-14(22-2)9-10-18(13)23-3/h5-11,16H,4,12H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one?
(3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one has a molecular weight of 311.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one is sourced from PubChem (CID 26367875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).