ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate

C14H17NO3 — CID 67372347

IUPACethyl 3-propan-2-yloxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1OC(C)C
InChIInChI=1S/C14H17NO3/c1-4-17-14(16)12-13(18-9(2)3)10-7-5-6-8-11(10)15-12/h5-9,15H,4H2,1-3H3
InChIKeyVBXJDOVAQWEIAP-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.13
Rot. Bonds4

About ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate

ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate (PubChem CID 67372347) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-propan-2-yloxy-1H-indole-2-carboxylate
PubChem CID67372347
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl 3-propan-2-yloxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1OC(C)C
InChIInChI=1S/C14H17NO3/c1-4-17-14(16)12-13(18-9(2)3)10-7-5-6-8-11(10)15-12/h5-9,15H,4H2,1-3H3
InChIKeyVBXJDOVAQWEIAP-UHFFFAOYSA-N
XLogP3.13
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate 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

ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate
CID 86224566
ethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate
CID 86224580
ethyl 3-(1,2-dihydroxyethyl)-1H-indole-2-carboxylate
CID 100944788
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
ethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate
CID 2157344
3-ethoxycarbonyl-1,4-di(propan-2-yloxy)naphthalene-2-carboxylic acid
CID 68689892
ethyl 3-(3-oxobutyl)-1H-indole-2-carboxylate
CID 11974884
2-(2-ethoxycarbonyl-1H-indol-3-yl)ethylazanium chloride
CID 16641200
ethyl 3-(3-ethoxy-3-oxoprop-1-en-2-yl)-1H-indole-2-carboxylate
CID 13166911
ethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate
CID 11065638
ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate
CID 11747350

Frequently Asked Questions

What is the IUPAC name of ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate (CID 67372347) is ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccccc2c1OC(C)C.
What is the InChIKey of ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate?
The InChIKey is VBXJDOVAQWEIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-17-14(16)12-13(18-9(2)3)10-7-5-6-8-11(10)15-12/h5-9,15H,4H2,1-3H3.
What are the key properties of ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate?
ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate is sourced from PubChem (CID 67372347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).