[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate

C17H21N3O4 — CID 9017656

IUPAC[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate
SMILESCCCNC(=O)CNC(=O)COC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H21N3O4/c1-2-7-18-15(21)10-20-16(22)11-24-17(23)8-12-9-19-14-6-4-3-5-13(12)14/h3-6,9,19H,2,7-8,10-11H2,1H3,(H,18,21)(H,20,22)
InChIKeyMIHLAHRTTHTWMC-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.90
Rot. Bonds8

About [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate

[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 9017656) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate
PubChem CID9017656
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate
SMILESCCCNC(=O)CNC(=O)COC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H21N3O4/c1-2-7-18-15(21)10-20-16(22)11-24-17(23)8-12-9-19-14-6-4-3-5-13(12)14/h3-6,9,19H,2,7-8,10-11H2,1H3,(H,18,21)(H,20,22)
InChIKeyMIHLAHRTTHTWMC-UHFFFAOYSA-N
XLogP0.90
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-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

Related Compounds

[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
CID 4024790
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960167
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 4031786
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 9337378
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 9017658
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
2-amino-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]acetamide
CID 61258221
[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665948
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 4-(1H-indol-3-yl)butanoate
CID 9016665
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 9018351
[2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960168

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate (CID 9017656) is [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate is CCCNC(=O)CNC(=O)COC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is MIHLAHRTTHTWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-2-7-18-15(21)10-20-16(22)11-24-17(23)8-12-9-19-14-6-4-3-5-13(12)14/h3-6,9,19H,2,7-8,10-11H2,1H3,(H,18,21)(H,20,22).
What are the key properties of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate?
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 331.37 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 9017656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).