(3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one

C20H23NO4 — CID 51539737

IUPAC(3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
SMILESCCN1C(=O)[C@@H](Cc2c(OC)cc(OC)cc2OC)c2ccccc21
InChIInChI=1S/C20H23NO4/c1-5-21-17-9-7-6-8-14(17)15(20(21)22)12-16-18(24-3)10-13(23-2)11-19(16)25-4/h6-11,15H,5,12H2,1-4H3/t15-/m0/s1
InChIKeyIBNZFDSNHGWGDQ-HNNXBMFYSA-N
MW341.41 g/mol
LogP3.41
Rot. Bonds6

About (3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one

(3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one (PubChem CID 51539737) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name(3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
PubChem CID51539737
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
SMILESCCN1C(=O)[C@@H](Cc2c(OC)cc(OC)cc2OC)c2ccccc21
InChIInChI=1S/C20H23NO4/c1-5-21-17-9-7-6-8-14(17)15(20(21)22)12-16-18(24-3)10-13(23-2)11-19(16)25-4/h6-11,15H,5,12H2,1-4H3/t15-/m0/s1
InChIKeyIBNZFDSNHGWGDQ-HNNXBMFYSA-N
XLogP3.41
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 43912718
(3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
CID 26367875
(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
1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one
CID 141342791
(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
3-ethyl-1-prop-2-enyl-3H-indol-2-one
CID 15047278
(3R)-3-ethyl-1-methyl-3H-indol-2-one
CID 51382688
N,N-diethyl-4-(10-ethyl-9H-acridin-9-yl)-3-methoxyaniline
CID 68638117
3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 43912424
3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-ethyl-3H-indol-2-one
CID 43912631

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one?
The IUPAC name of (3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one (CID 51539737) is (3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for (3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for (3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one is CCN1C(=O)[C@@H](Cc2c(OC)cc(OC)cc2OC)c2ccccc21.
What is the InChIKey of (3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one?
The InChIKey is IBNZFDSNHGWGDQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-5-21-17-9-7-6-8-14(17)15(20(21)22)12-16-18(24-3)10-13(23-2)11-19(16)25-4/h6-11,15H,5,12H2,1-4H3/t15-/m0/s1.
What are the key properties of (3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one?
(3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one has a molecular weight of 341.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 51539737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).