propan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate

C19H24N2O4 — CID 171483490

IUPACpropan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate
SMILESCC(C)OC(=O)Cc1[nH]c2ccccc2c1CC(=O)N1CCOCC1
InChIInChI=1S/C19H24N2O4/c1-13(2)25-19(23)12-17-15(14-5-3-4-6-16(14)20-17)11-18(22)21-7-9-24-10-8-21/h3-6,13,20H,7-12H2,1-2H3
InChIKeyRDFHVYXMEAJWOZ-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.06
Rot. Bonds5

About propan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate

propan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate (PubChem CID 171483490) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is propan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate
PubChem CID171483490
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namepropan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate
SMILESCC(C)OC(=O)Cc1[nH]c2ccccc2c1CC(=O)N1CCOCC1
InChIInChI=1S/C19H24N2O4/c1-13(2)25-19(23)12-17-15(14-5-3-4-6-16(14)20-17)11-18(22)21-7-9-24-10-8-21/h3-6,13,20H,7-12H2,1-2H3
InChIKeyRDFHVYXMEAJWOZ-UHFFFAOYSA-N
XLogP2.06
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze propan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate?
The IUPAC name of propan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate (CID 171483490) is propan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate?
The canonical SMILES for propan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate is CC(C)OC(=O)Cc1[nH]c2ccccc2c1CC(=O)N1CCOCC1.
What is the InChIKey of propan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate?
The InChIKey is RDFHVYXMEAJWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13(2)25-19(23)12-17-15(14-5-3-4-6-16(14)20-17)11-18(22)21-7-9-24-10-8-21/h3-6,13,20H,7-12H2,1-2H3.
What are the key properties of propan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate?
propan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate has a molecular weight of 344.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate is sourced from PubChem (CID 171483490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).