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

C18H24N2O5 — CID 176589010

IUPAC1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl oxetan-3-yl carbonate
SMILESCC(OC(=O)OC1COC1)Oc1cccc2[nH]cc(CCN(C)C)c12
InChIInChI=1S/C18H24N2O5/c1-12(24-18(21)25-14-10-22-11-14)23-16-6-4-5-15-17(16)13(9-19-15)7-8-20(2)3/h4-6,9,12,14,19H,7-8,10-11H2,1-3H3
InChIKeyBMJDBPHJVVSNDZ-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.55
Rot. Bonds7

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

1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl oxetan-3-yl carbonate (PubChem CID 176589010) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl oxetan-3-yl carbonate.

Molecular Properties

Compound Name1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl oxetan-3-yl carbonate
PubChem CID176589010
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl oxetan-3-yl carbonate
SMILESCC(OC(=O)OC1COC1)Oc1cccc2[nH]cc(CCN(C)C)c12
InChIInChI=1S/C18H24N2O5/c1-12(24-18(21)25-14-10-22-11-14)23-16-6-4-5-15-17(16)13(9-19-15)7-8-20(2)3/h4-6,9,12,14,19H,7-8,10-11H2,1-3H3
InChIKeyBMJDBPHJVVSNDZ-UHFFFAOYSA-N
XLogP2.55
TPSA73.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl propan-2-yl carbonate
CID 176589120
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] oxetan-3-yl carbonate
CID 167476958
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 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] azetidine-3-carboxylate
CID 176589045
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] N-amino-N-propan-2-ylsulfanylcarbamate
CID 167476910
2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol
CID 178014980

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl oxetan-3-yl carbonate?
The IUPAC name of 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl oxetan-3-yl carbonate (CID 176589010) is 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl oxetan-3-yl carbonate.
What is the SMILES notation for 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl oxetan-3-yl carbonate?
The canonical SMILES for 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl oxetan-3-yl carbonate is CC(OC(=O)OC1COC1)Oc1cccc2[nH]cc(CCN(C)C)c12.
What is the InChIKey of 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl oxetan-3-yl carbonate?
The InChIKey is BMJDBPHJVVSNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-12(24-18(21)25-14-10-22-11-14)23-16-6-4-5-15-17(16)13(9-19-15)7-8-20(2)3/h4-6,9,12,14,19H,7-8,10-11H2,1-3H3.
What are the key properties of 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl oxetan-3-yl carbonate?
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl oxetan-3-yl carbonate has a molecular weight of 348.40 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl oxetan-3-yl carbonate is sourced from PubChem (CID 176589010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).