1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate

C16H23N3O3 — CID 176589084

IUPAC1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate
SMILESCC(OC(=O)CN)Oc1cccc2[nH]cc(CCN(C)C)c12
InChIInChI=1S/C16H23N3O3/c1-11(22-15(20)9-17)21-14-6-4-5-13-16(14)12(10-18-13)7-8-19(2)3/h4-6,10-11,18H,7-9,17H2,1-3H3
InChIKeyFQOGEMCCMNHMTR-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.50
Rot. Bonds7

About 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate

1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate (PubChem CID 176589084) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate.

Molecular Properties

Compound Name1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate
PubChem CID176589084
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate
SMILESCC(OC(=O)CN)Oc1cccc2[nH]cc(CCN(C)C)c12
InChIInChI=1S/C16H23N3O3/c1-11(22-15(20)9-17)21-14-6-4-5-13-16(14)12(10-18-13)7-8-19(2)3/h4-6,10-11,18H,7-9,17H2,1-3H3
InChIKeyFQOGEMCCMNHMTR-UHFFFAOYSA-N
XLogP1.50
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate 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

[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate
CID 162733971
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl ethyl carbonate
CID 176589116
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl propan-2-yl carbonate
CID 176589120
N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine
CID 131852240
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl oxetan-3-yl carbonate
CID 176589010
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2R)-2,3-dimethylbutanoate
CID 176651518
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethylphosphonic acid
CID 156821130
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2,3-dihydroxybutanedioate
CID 175530702
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2S)-2-hydroxybutanedioate
CID 175530701
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] N-amino-N-propan-2-ylsulfanylcarbamate
CID 167476910
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 4,4-dimethylpentanoate
CID 167476981
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 3,3,4,4-tetradeuterio-4-(dimethylamino)-2-methylbutanoate
CID 176651508

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate?
The IUPAC name of 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate (CID 176589084) is 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate.
What is the SMILES notation for 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate?
The canonical SMILES for 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate is CC(OC(=O)CN)Oc1cccc2[nH]cc(CCN(C)C)c12.
What is the InChIKey of 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate?
The InChIKey is FQOGEMCCMNHMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(22-15(20)9-17)21-14-6-4-5-13-16(14)12(10-18-13)7-8-19(2)3/h4-6,10-11,18H,7-9,17H2,1-3H3.
What are the key properties of 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate?
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate has a molecular weight of 305.38 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate is sourced from PubChem (CID 176589084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).