tert-butyl 3-[5-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate

C19H25NO4 — CID 121438128

IUPACtert-butyl 3-[5-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate
SMILESCCOC(=O)Cc1ccc2[nH]cc(CCC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C19H25NO4/c1-5-23-18(22)11-13-6-8-16-15(10-13)14(12-20-16)7-9-17(21)24-19(2,3)4/h6,8,10,12,20H,5,7,9,11H2,1-4H3
InChIKeyYXMLEHWXUTUGDA-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.55
Rot. Bonds6

About tert-butyl 3-[5-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate

tert-butyl 3-[5-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate (PubChem CID 121438128) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is tert-butyl 3-[5-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[5-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate
PubChem CID121438128
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Nametert-butyl 3-[5-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate
SMILESCCOC(=O)Cc1ccc2[nH]cc(CCC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C19H25NO4/c1-5-23-18(22)11-13-6-8-16-15(10-13)14(12-20-16)7-9-17(21)24-19(2,3)4/h6,8,10,12,20H,5,7,9,11H2,1-4H3
InChIKeyYXMLEHWXUTUGDA-UHFFFAOYSA-N
XLogP3.55
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[5-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-[5-[2-[[1-(2-ethoxyphenyl)-3-methylbutyl]amino]-2-oxoethyl]-1H-indol-3-yl]propanoate
CID 121438149
tert-butyl 3-[5-[2-[[(4-methylnaphthalen-1-yl)-phenylmethyl]amino]-2-oxoethyl]-1H-indol-3-yl]propanoate
CID 121438620
tert-butyl 3-[5-[2-[[3-methyl-1-(4-methyl-2-propan-2-yloxyphenyl)butyl]amino]-2-oxoethyl]-1H-indol-3-yl]propanoate
CID 121438194
tert-butyl 3-[5-[2-[[(4-methyl-1H-indol-7-yl)-phenylmethyl]amino]-2-oxoethyl]-1H-indol-3-yl]propanoate
CID 121438493
tert-butyl 3-[5-[2-[[(5-methylquinolin-8-yl)-phenylmethyl]amino]-2-oxoethyl]-1H-indol-3-yl]propanoate
CID 121438635
tert-butyl 3-[5-[2-[[[4-methyl-2-(propan-2-ylamino)phenyl]-phenylmethyl]amino]-2-oxoethyl]-1H-indol-3-yl]propanoate
CID 121438166
tert-butyl 3-[5-[2-oxo-2-[[1-(2-piperidin-1-ylphenyl)cyclohexyl]amino]ethyl]-1H-indol-3-yl]propanoate
CID 121438388
ethyl 4-(5-chloro-1H-indol-3-yl)butanoate
CID 18175108
methyl 3-amino-2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-indol-3-yl]propanoate
CID 158232060
tert-butyl 3-[5-[2-[[(5-methyl-1,3-thiazol-2-yl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]-1H-indol-3-yl]propanoate
CID 121438229
ethyl 4-(5-ethoxycarbonyloxy-1H-indol-3-yl)butanoate
CID 158377062
ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate
CID 83984817

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[5-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate?
The IUPAC name of tert-butyl 3-[5-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate (CID 121438128) is tert-butyl 3-[5-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate.
What is the SMILES notation for tert-butyl 3-[5-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate?
The canonical SMILES for tert-butyl 3-[5-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate is CCOC(=O)Cc1ccc2[nH]cc(CCC(=O)OC(C)(C)C)c2c1.
What is the InChIKey of tert-butyl 3-[5-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate?
The InChIKey is YXMLEHWXUTUGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-5-23-18(22)11-13-6-8-16-15(10-13)14(12-20-16)7-9-17(21)24-19(2,3)4/h6,8,10,12,20H,5,7,9,11H2,1-4H3.
What are the key properties of tert-butyl 3-[5-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate?
tert-butyl 3-[5-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate has a molecular weight of 331.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[5-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate is sourced from PubChem (CID 121438128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).