(2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate

C20H19NO4 — CID 134405594

IUPAC(2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate
SMILESCc1[nH]c2ccccc2c1CC(=O)OCC(=O)OCc1ccccc1
InChIInChI=1S/C20H19NO4/c1-14-17(16-9-5-6-10-18(16)21-14)11-19(22)25-13-20(23)24-12-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3
InChIKeyBDIIDLMXXGVQHT-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.31
Rot. Bonds6

About (2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate

(2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate (PubChem CID 134405594) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate.

Molecular Properties

Compound Name(2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate
PubChem CID134405594
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate
SMILESCc1[nH]c2ccccc2c1CC(=O)OCC(=O)OCc1ccccc1
InChIInChI=1S/C20H19NO4/c1-14-17(16-9-5-6-10-18(16)21-14)11-19(22)25-13-20(23)24-12-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3
InChIKeyBDIIDLMXXGVQHT-UHFFFAOYSA-N
XLogP3.31
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 38338434
1,3-benzothiazol-2-ylmethyl 2-(2-methyl-1H-indol-3-yl)acetate
CID 38339297
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104
N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702447
(2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate
CID 20645227
[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 134405482
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
methyl 2-[2-(benzylamino)-1H-indol-3-yl]acetate
CID 57046316
2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide
CID 32579620
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 38330775
methyl 2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946262

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate?
The IUPAC name of (2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate (CID 134405594) is (2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate.
What is the SMILES notation for (2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate?
The canonical SMILES for (2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate is Cc1[nH]c2ccccc2c1CC(=O)OCC(=O)OCc1ccccc1.
What is the InChIKey of (2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate?
The InChIKey is BDIIDLMXXGVQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-14-17(16-9-5-6-10-18(16)21-14)11-19(22)25-13-20(23)24-12-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3.
What are the key properties of (2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate?
(2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate has a molecular weight of 337.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate is sourced from PubChem (CID 134405594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).