oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate

C20H26N2O5 — CID 166467234

IUPACoxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
SMILESCN(C)CCc1cn(C(=O)OCOC(=O)C2CCOCC2)c2ccccc12
InChIInChI=1S/C20H26N2O5/c1-21(2)10-7-16-13-22(18-6-4-3-5-17(16)18)20(24)27-14-26-19(23)15-8-11-25-12-9-15/h3-6,13,15H,7-12,14H2,1-2H3
InChIKeyOXOPTZDCEHTQSW-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.66
Rot. Bonds6

About oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate

oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate (PubChem CID 166467234) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate.

Molecular Properties

Compound Nameoxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
PubChem CID166467234
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Nameoxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
SMILESCN(C)CCc1cn(C(=O)OCOC(=O)C2CCOCC2)c2ccccc12
InChIInChI=1S/C20H26N2O5/c1-21(2)10-7-16-13-22(18-6-4-3-5-17(16)18)20(24)27-14-26-19(23)15-8-11-25-12-9-15/h3-6,13,15H,7-12,14H2,1-2H3
InChIKeyOXOPTZDCEHTQSW-UHFFFAOYSA-N
XLogP2.66
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
The IUPAC name of oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate (CID 166467234) is oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate.
What is the SMILES notation for oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
The canonical SMILES for oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate is CN(C)CCc1cn(C(=O)OCOC(=O)C2CCOCC2)c2ccccc12.
What is the InChIKey of oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
The InChIKey is OXOPTZDCEHTQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-21(2)10-7-16-13-22(18-6-4-3-5-17(16)18)20(24)27-14-26-19(23)15-8-11-25-12-9-15/h3-6,13,15H,7-12,14H2,1-2H3.
What are the key properties of oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate is sourced from PubChem (CID 166467234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).