[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxymethyl N-[2-(azetidin-1-yl)ethyl]carbamate

C19H28N4O3 — CID 167477048

IUPAC[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxymethyl N-[2-(azetidin-1-yl)ethyl]carbamate
SMILESCN(C)CCc1c[nH]c2cccc(OCOC(=O)NCCN3CCC3)c12
InChIInChI=1S/C19H28N4O3/c1-22(2)11-7-15-13-21-16-5-3-6-17(18(15)16)25-14-26-19(24)20-8-12-23-9-4-10-23/h3,5-6,13,21H,4,7-12,14H2,1-2H3,(H,20,24)
InChIKeyVGQDZODDMRKKLE-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.04
Rot. Bonds9

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

[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxymethyl N-[2-(azetidin-1-yl)ethyl]carbamate (PubChem CID 167477048) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxymethyl N-[2-(azetidin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxymethyl N-[2-(azetidin-1-yl)ethyl]carbamate
PubChem CID167477048
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxymethyl N-[2-(azetidin-1-yl)ethyl]carbamate
SMILESCN(C)CCc1c[nH]c2cccc(OCOC(=O)NCCN3CCC3)c12
InChIInChI=1S/C19H28N4O3/c1-22(2)11-7-15-13-21-16-5-3-6-17(18(15)16)25-14-26-19(24)20-8-12-23-9-4-10-23/h3,5-6,13,21H,4,7-12,14H2,1-2H3,(H,20,24)
InChIKeyVGQDZODDMRKKLE-UHFFFAOYSA-N
XLogP2.04
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxymethyl N-[2-(azetidin-1-yl)ethyl]carbamate?
The IUPAC name of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxymethyl N-[2-(azetidin-1-yl)ethyl]carbamate (CID 167477048) is [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxymethyl N-[2-(azetidin-1-yl)ethyl]carbamate.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxymethyl N-[2-(azetidin-1-yl)ethyl]carbamate?
The canonical SMILES for [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxymethyl N-[2-(azetidin-1-yl)ethyl]carbamate is CN(C)CCc1c[nH]c2cccc(OCOC(=O)NCCN3CCC3)c12.
What is the InChIKey of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxymethyl N-[2-(azetidin-1-yl)ethyl]carbamate?
The InChIKey is VGQDZODDMRKKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-22(2)11-7-15-13-21-16-5-3-6-17(18(15)16)25-14-26-19(24)20-8-12-23-9-4-10-23/h3,5-6,13,21H,4,7-12,14H2,1-2H3,(H,20,24).
What are the key properties of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxymethyl N-[2-(azetidin-1-yl)ethyl]carbamate?
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxymethyl N-[2-(azetidin-1-yl)ethyl]carbamate has a molecular weight of 360.46 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 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]oxymethyl N-[2-(azetidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 167477048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).