methyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate

C18H26N2O3 — CID 10757921

IUPACmethyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate
SMILESCCCN(CCCC(=O)OC)CCc1cccc2c1CC(=O)N2
InChIInChI=1S/C18H26N2O3/c1-3-10-20(11-5-8-18(22)23-2)12-9-14-6-4-7-16-15(14)13-17(21)19-16/h4,6-7H,3,5,8-13H2,1-2H3,(H,19,21)
InChIKeyGUJNNAVGEBMKJZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.39
Rot. Bonds9

About methyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate

methyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate (PubChem CID 10757921) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is methyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate
PubChem CID10757921
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namemethyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate
SMILESCCCN(CCCC(=O)OC)CCc1cccc2c1CC(=O)N2
InChIInChI=1S/C18H26N2O3/c1-3-10-20(11-5-8-18(22)23-2)12-9-14-6-4-7-16-15(14)13-17(21)19-16/h4,6-7H,3,5,8-13H2,1-2H3,(H,19,21)
InChIKeyGUJNNAVGEBMKJZ-UHFFFAOYSA-N
XLogP2.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate 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 methyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate?
The IUPAC name of methyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate (CID 10757921) is methyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate.
What is the SMILES notation for methyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate?
The canonical SMILES for methyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate is CCCN(CCCC(=O)OC)CCc1cccc2c1CC(=O)N2.
What is the InChIKey of methyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate?
The InChIKey is GUJNNAVGEBMKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-10-20(11-5-8-18(22)23-2)12-9-14-6-4-7-16-15(14)13-17(21)19-16/h4,6-7H,3,5,8-13H2,1-2H3,(H,19,21).
What are the key properties of methyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate?
methyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate has a molecular weight of 318.42 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate is sourced from PubChem (CID 10757921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).