ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate

C23H26N2O4 — CID 2787532

IUPACethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate
SMILESCCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(CC)cc1
InChIInChI=1S/C23H26N2O4/c1-3-16-9-11-18(12-10-16)29-15-22(26)25-21(23(27)28-4-2)13-17-14-24-20-8-6-5-7-19(17)20/h5-12,14,21,24H,3-4,13,15H2,1-2H3,(H,25,26)
InChIKeyHMCFYLGFQXNSOU-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.40
Rot. Bonds9

About ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate

ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate (PubChem CID 2787532) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate
PubChem CID2787532
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Nameethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate
SMILESCCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(CC)cc1
InChIInChI=1S/C23H26N2O4/c1-3-16-9-11-18(12-10-16)29-15-22(26)25-21(23(27)28-4-2)13-17-14-24-20-8-6-5-7-19(17)20/h5-12,14,21,24H,3-4,13,15H2,1-2H3,(H,25,26)
InChIKeyHMCFYLGFQXNSOU-UHFFFAOYSA-N
XLogP3.40
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate?
The IUPAC name of ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate (CID 2787532) is ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate is CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(CC)cc1.
What is the InChIKey of ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate?
The InChIKey is HMCFYLGFQXNSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-3-16-9-11-18(12-10-16)29-15-22(26)25-21(23(27)28-4-2)13-17-14-24-20-8-6-5-7-19(17)20/h5-12,14,21,24H,3-4,13,15H2,1-2H3,(H,25,26).
What are the key properties of ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate?
ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate has a molecular weight of 394.47 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 2787532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).