[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

C21H21NO5 — CID 7629003

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H21NO5/c1-25-15-8-9-20(26-2)17(11-15)19(23)13-27-21(24)10-7-14-12-22-18-6-4-3-5-16(14)18/h3-6,8-9,11-12,22H,7,10,13H2,1-2H3
InChIKeyORQQSCDSNQEDTQ-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.54
Rot. Bonds8

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (PubChem CID 7629003) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
PubChem CID7629003
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H21NO5/c1-25-15-8-9-20(26-2)17(11-15)19(23)13-27-21(24)10-7-14-12-22-18-6-4-3-5-16(14)18/h3-6,8-9,11-12,22H,7,10,13H2,1-2H3
InChIKeyORQQSCDSNQEDTQ-UHFFFAOYSA-N
XLogP3.54
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2556581
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7958497
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2128394
[2-(4-fluorophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2146219
[2-(3-bromophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2362813
[2-(3-fluorophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 8675713
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2475685
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 23964948
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2577795
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18107803
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 5026554
(2,5-dimethoxyphenyl)methyl 1H-indole-3-carboxylate
CID 8644175

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (CID 7629003) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is COc1ccc(OC)c(C(=O)COC(=O)CCc2c[nH]c3ccccc23)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The InChIKey is ORQQSCDSNQEDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-25-15-8-9-20(26-2)17(11-15)19(23)13-27-21(24)10-7-14-12-22-18-6-4-3-5-16(14)18/h3-6,8-9,11-12,22H,7,10,13H2,1-2H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate has a molecular weight of 367.40 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 7629003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).