oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate

C20H26N2O6 — CID 166467776

IUPACoxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
SMILESCN(C)CCc1cn(C(=O)OCOC(=O)OC2CCOCC2)c2ccccc12
InChIInChI=1S/C20H26N2O6/c1-21(2)10-7-15-13-22(18-6-4-3-5-17(15)18)19(23)26-14-27-20(24)28-16-8-11-25-12-9-16/h3-6,13,16H,7-12,14H2,1-2H3
InChIKeyTWABHZOQEXXNCS-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.02
Rot. Bonds6

About oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate

oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate (PubChem CID 166467776) has the molecular formula C20H26N2O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate.

Molecular Properties

Compound Nameoxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
PubChem CID166467776
Molecular FormulaC20H26N2O6
Molecular Weight390.44 g/mol
Exact Mass390.18
IUPAC Nameoxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
SMILESCN(C)CCc1cn(C(=O)OCOC(=O)OC2CCOCC2)c2ccccc12
InChIInChI=1S/C20H26N2O6/c1-21(2)10-7-15-13-22(18-6-4-3-5-17(15)18)19(23)26-14-27-20(24)28-16-8-11-25-12-9-16/h3-6,13,16H,7-12,14H2,1-2H3
InChIKeyTWABHZOQEXXNCS-UHFFFAOYSA-N
XLogP3.02
TPSA79.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467234
oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930953
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467171
(1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467441
thian-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carboxylate
CID 166467685
(2-hydroxy-5-methyl-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 167307085
thian-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930954
(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467519
6-[[3-[2-(dimethylamino)ethyl]indole-1-carbonyl]oxymethoxy]-6-oxohexanoic acid
CID 166467624
butane;ethane;2-morpholin-4-ylethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467522
2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467537
2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride
CID 166467543

Frequently Asked Questions

What is the IUPAC name of oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
The IUPAC name of oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate (CID 166467776) is oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate.
What is the SMILES notation for oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
The canonical SMILES for oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate is CN(C)CCc1cn(C(=O)OCOC(=O)OC2CCOCC2)c2ccccc12.
What is the InChIKey of oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
The InChIKey is TWABHZOQEXXNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6/c1-21(2)10-7-15-13-22(18-6-4-3-5-17(15)18)19(23)26-14-27-20(24)28-16-8-11-25-12-9-16/h3-6,13,16H,7-12,14H2,1-2H3.
What are the key properties of oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate is sourced from PubChem (CID 166467776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).