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

C19H28N2O3 — CID 10854042

IUPACethyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate
SMILESCCCN(CCCC(=O)OCC)CCc1cccc2c1CC(=O)N2
InChIInChI=1S/C19H28N2O3/c1-3-11-21(12-6-9-19(23)24-4-2)13-10-15-7-5-8-17-16(15)14-18(22)20-17/h5,7-8H,3-4,6,9-14H2,1-2H3,(H,20,22)
InChIKeyWERKEUPGJIAGPV-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.78
Rot. Bonds10

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

ethyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate (PubChem CID 10854042) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is ethyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate
PubChem CID10854042
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nameethyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate
SMILESCCCN(CCCC(=O)OCC)CCc1cccc2c1CC(=O)N2
InChIInChI=1S/C19H28N2O3/c1-3-11-21(12-6-9-19(23)24-4-2)13-10-15-7-5-8-17-16(15)14-18(22)20-17/h5,7-8H,3-4,6,9-14H2,1-2H3,(H,20,22)
InChIKeyWERKEUPGJIAGPV-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate?
The IUPAC name of ethyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate (CID 10854042) is ethyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate.
What is the SMILES notation for ethyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate?
The canonical SMILES for ethyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate is CCCN(CCCC(=O)OCC)CCc1cccc2c1CC(=O)N2.
What is the InChIKey of ethyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate?
The InChIKey is WERKEUPGJIAGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-11-21(12-6-9-19(23)24-4-2)13-10-15-7-5-8-17-16(15)14-18(22)20-17/h5,7-8H,3-4,6,9-14H2,1-2H3,(H,20,22).
What are the key properties of ethyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate?
ethyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate has a molecular weight of 332.44 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate is sourced from PubChem (CID 10854042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).