ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate

C21H22N2O4 — CID 39269339

IUPACethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H22N2O4/c1-2-26-21(25)14-27-17-7-5-6-16(12-17)23-20(24)11-10-15-13-22-19-9-4-3-8-18(15)19/h3-9,12-13,22H,2,10-11,14H2,1H3,(H,23,24)
InChIKeyUDNLVXZGNXZYNE-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.68
Rot. Bonds8

About ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate

ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate (PubChem CID 39269339) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate
PubChem CID39269339
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Nameethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H22N2O4/c1-2-26-21(25)14-27-17-7-5-6-16(12-17)23-20(24)11-10-15-13-22-19-9-4-3-8-18(15)19/h3-9,12-13,22H,2,10-11,14H2,1H3,(H,23,24)
InChIKeyUDNLVXZGNXZYNE-UHFFFAOYSA-N
XLogP3.68
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate
CID 55706670
2-(1H-indol-3-yl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 38738127
ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate
CID 39269822
N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
CID 26580490
3-(1H-indol-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 78915659
2-(3-ethoxyphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112977733
3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 2129206
N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 2522746
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2095378
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 9018351
ethyl 7-(3-ethoxyanilino)-7-oxoheptanoate
CID 139378123

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate (CID 39269339) is ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate is CCOC(=O)COc1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1.
What is the InChIKey of ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate?
The InChIKey is UDNLVXZGNXZYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-2-26-21(25)14-27-17-7-5-6-16(12-17)23-20(24)11-10-15-13-22-19-9-4-3-8-18(15)19/h3-9,12-13,22H,2,10-11,14H2,1H3,(H,23,24).
What are the key properties of ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate?
ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate has a molecular weight of 366.42 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate is sourced from PubChem (CID 39269339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).