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

C18H26N2O4 — CID 176589120

IUPAC1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OC(C)Oc1cccc2[nH]cc(CCN(C)C)c12
InChIInChI=1S/C18H26N2O4/c1-12(2)22-18(21)24-13(3)23-16-8-6-7-15-17(16)14(11-19-15)9-10-20(4)5/h6-8,11-13,19H,9-10H2,1-5H3
InChIKeyJDGCBINZBFVAFX-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.56
Rot. Bonds7

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

1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl propan-2-yl carbonate (PubChem CID 176589120) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl propan-2-yl carbonate.

Molecular Properties

Compound Name1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl propan-2-yl carbonate
PubChem CID176589120
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OC(C)Oc1cccc2[nH]cc(CCN(C)C)c12
InChIInChI=1S/C18H26N2O4/c1-12(2)22-18(21)24-13(3)23-16-8-6-7-15-17(16)14(11-19-15)9-10-20(4)5/h6-8,11-13,19H,9-10H2,1-5H3
InChIKeyJDGCBINZBFVAFX-UHFFFAOYSA-N
XLogP3.56
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
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 propan-2-yl carbonate 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

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 oxetan-3-yl carbonate
CID 176589010
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate
CID 176589084
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]ethylphosphonic acid
CID 156821130
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2R)-2,3-dimethylbutanoate
CID 176651518
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate
CID 162733971
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2,3-dihydroxybutanedioate
CID 175530702
[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
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2S)-2-hydroxybutanedioate
CID 175530701
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 3-[3-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2,2-dimethyl-3-oxopropoxy]-2,2-dimethylpropanoate
CID 176651426

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl propan-2-yl carbonate?
The IUPAC name of 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl propan-2-yl carbonate (CID 176589120) is 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl propan-2-yl carbonate.
What is the SMILES notation for 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl propan-2-yl carbonate?
The canonical SMILES for 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl propan-2-yl carbonate is CC(C)OC(=O)OC(C)Oc1cccc2[nH]cc(CCN(C)C)c12.
What is the InChIKey of 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl propan-2-yl carbonate?
The InChIKey is JDGCBINZBFVAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12(2)22-18(21)24-13(3)23-16-8-6-7-15-17(16)14(11-19-15)9-10-20(4)5/h6-8,11-13,19H,9-10H2,1-5H3.
What are the key properties of 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl propan-2-yl carbonate?
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl propan-2-yl carbonate has a molecular weight of 334.42 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 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 propan-2-yl carbonate is sourced from PubChem (CID 176589120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).