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

Related Compounds

4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid
CID 11449569
4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one
CID 70333765
4-[2-[bis(1,1-dideuteriopropyl)amino]-1,1-dideuterioethyl]-1,3-dihydroindol-2-one
CID 46219473
4-[2-(dipropylamino)ethyl]-1,3-dihydroinden-2-one
CID 158996425
methyl 4-(dihexylamino)butanoate
CID 142540666
2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile
CID 84766189
propyl 4-[2-(dipropylamino)ethyl]-2-oxo-3H-indole-1-carboxylate
CID 139566726
2-(dipropylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride
CID 70690960
methyl 3-[[4-(aminomethyl)phenyl]methyl-[4-(dipropylamino)butyl]amino]propanoate
CID 59850572
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate
CID 62027143
methyl 3-[(2-aminophenyl)methyl-propylamino]propanoate
CID 63949117
[2-[2-[4-[heptyl(hexyl)amino]butanoyloxymethyl]phenyl]phenyl]methyl 4-[heptyl(hexyl)amino]butanoate
CID 139954126

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).