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

C16H20N2O4 — CID 167476958

IUPAC[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] oxetan-3-yl carbonate
SMILESCN(C)CCc1c[nH]c2cccc(OC(=O)OC3COC3)c12
InChIInChI=1S/C16H20N2O4/c1-18(2)7-6-11-8-17-13-4-3-5-14(15(11)13)22-16(19)21-12-9-20-10-12/h3-5,8,12,17H,6-7,9-10H2,1-2H3
InChIKeyDGUWDFOVSBNNTA-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.19
Rot. Bonds5

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

[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] oxetan-3-yl carbonate (PubChem CID 167476958) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] oxetan-3-yl carbonate.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] oxetan-3-yl carbonate
PubChem CID167476958
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] oxetan-3-yl carbonate
SMILESCN(C)CCc1c[nH]c2cccc(OC(=O)OC3COC3)c12
InChIInChI=1S/C16H20N2O4/c1-18(2)7-6-11-8-17-13-4-3-5-14(15(11)13)22-16(19)21-12-9-20-10-12/h3-5,8,12,17H,6-7,9-10H2,1-2H3
InChIKeyDGUWDFOVSBNNTA-UHFFFAOYSA-N
XLogP2.19
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

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] azetidine-3-carboxylate
CID 176589045
[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] (2R)-2,3-dimethylbutanoate
CID 176651518
2-(azetidin-1-yl)ethyl [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] carbonate
CID 167476975
[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
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-oxa-7-azaspiro[3.4]octane-7-carboxylate
CID 167476899
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propylsulfanylformate
CID 170212216
[3-[2-(methylamino)ethyl]-1H-indol-4-yl] piperidin-4-yl carbonate
CID 167476998

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] oxetan-3-yl carbonate?
The IUPAC name of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] oxetan-3-yl carbonate (CID 167476958) is [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] oxetan-3-yl carbonate.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] oxetan-3-yl carbonate?
The canonical SMILES for [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] oxetan-3-yl carbonate is CN(C)CCc1c[nH]c2cccc(OC(=O)OC3COC3)c12.
What is the InChIKey of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] oxetan-3-yl carbonate?
The InChIKey is DGUWDFOVSBNNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-18(2)7-6-11-8-17-13-4-3-5-14(15(11)13)22-16(19)21-12-9-20-10-12/h3-5,8,12,17H,6-7,9-10H2,1-2H3.
What are the key properties of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] oxetan-3-yl carbonate?
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] oxetan-3-yl carbonate has a molecular weight of 304.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] oxetan-3-yl carbonate is sourced from PubChem (CID 167476958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).