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

C18H25N3O3 — CID 167476975

IUPAC2-(azetidin-1-yl)ethyl [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] carbonate
SMILESCN(C)CCc1c[nH]c2cccc(OC(=O)OCCN3CCC3)c12
InChIInChI=1S/C18H25N3O3/c1-20(2)10-7-14-13-19-15-5-3-6-16(17(14)15)24-18(22)23-12-11-21-8-4-9-21/h3,5-6,13,19H,4,7-12H2,1-2H3
InChIKeyFFPMZLSRLALALR-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.49
Rot. Bonds7

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

2-(azetidin-1-yl)ethyl [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] carbonate (PubChem CID 167476975) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(azetidin-1-yl)ethyl [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] carbonate.

Molecular Properties

Compound Name2-(azetidin-1-yl)ethyl [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] carbonate
PubChem CID167476975
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-(azetidin-1-yl)ethyl [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] carbonate
SMILESCN(C)CCc1c[nH]c2cccc(OC(=O)OCCN3CCC3)c12
InChIInChI=1S/C18H25N3O3/c1-20(2)10-7-14-13-19-15-5-3-6-16(17(14)15)24-18(22)23-12-11-21-8-4-9-21/h3,5-6,13,19H,4,7-12H2,1-2H3
InChIKeyFFPMZLSRLALALR-UHFFFAOYSA-N
XLogP2.49
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.49
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

[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxymethyl N-[2-(azetidin-1-yl)ethyl]carbamate
CID 167477048
[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] oxetan-3-yl carbonate
CID 167476958
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2R)-2,3-dimethylbutanoate
CID 176651518
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2S)-2-hydroxybutanedioate
CID 175530701
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] azetidine-3-carboxylate
CID 176589045
[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] 4,4-dimethylpentanoate
CID 167476981
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-oxa-7-azaspiro[3.4]octane-7-carboxylate
CID 167476899
4-amino-5-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-5-oxopentanoic acid
CID 176651471
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propylsulfanylformate
CID 170212216

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)ethyl [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] carbonate?
The IUPAC name of 2-(azetidin-1-yl)ethyl [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] carbonate (CID 167476975) is 2-(azetidin-1-yl)ethyl [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] carbonate.
What is the SMILES notation for 2-(azetidin-1-yl)ethyl [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] carbonate?
The canonical SMILES for 2-(azetidin-1-yl)ethyl [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] carbonate is CN(C)CCc1c[nH]c2cccc(OC(=O)OCCN3CCC3)c12.
What is the InChIKey of 2-(azetidin-1-yl)ethyl [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] carbonate?
The InChIKey is FFPMZLSRLALALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-20(2)10-7-14-13-19-15-5-3-6-16(17(14)15)24-18(22)23-12-11-21-8-4-9-21/h3,5-6,13,19H,4,7-12H2,1-2H3.
What are the key properties of 2-(azetidin-1-yl)ethyl [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] carbonate?
2-(azetidin-1-yl)ethyl [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] carbonate has a molecular weight of 331.42 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)ethyl [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] carbonate is sourced from PubChem (CID 167476975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).