2-(dimethylamino)ethyl 5-methoxy-1-(2-methoxy-2-oxoethyl)indole-2-carboxylate

C17H22N2O5 — CID 71577435

IUPAC2-(dimethylamino)ethyl 5-methoxy-1-(2-methoxy-2-oxoethyl)indole-2-carboxylate
SMILESCOC(=O)Cn1c(C(=O)OCCN(C)C)cc2cc(OC)ccc21
InChIInChI=1S/C17H22N2O5/c1-18(2)7-8-24-17(21)15-10-12-9-13(22-3)5-6-14(12)19(15)11-16(20)23-4/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyQEPUZBRAWIHFAL-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.54
Rot. Bonds7

About 2-(dimethylamino)ethyl 5-methoxy-1-(2-methoxy-2-oxoethyl)indole-2-carboxylate

2-(dimethylamino)ethyl 5-methoxy-1-(2-methoxy-2-oxoethyl)indole-2-carboxylate (PubChem CID 71577435) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 5-methoxy-1-(2-methoxy-2-oxoethyl)indole-2-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 5-methoxy-1-(2-methoxy-2-oxoethyl)indole-2-carboxylate
PubChem CID71577435
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-(dimethylamino)ethyl 5-methoxy-1-(2-methoxy-2-oxoethyl)indole-2-carboxylate
SMILESCOC(=O)Cn1c(C(=O)OCCN(C)C)cc2cc(OC)ccc21
InChIInChI=1S/C17H22N2O5/c1-18(2)7-8-24-17(21)15-10-12-9-13(22-3)5-6-14(12)19(15)11-16(20)23-4/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyQEPUZBRAWIHFAL-UHFFFAOYSA-N
XLogP1.54
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 5-methoxy-1-(2-methoxy-2-oxoethyl)indole-2-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 5-methoxy-1-(2-methoxy-2-oxoethyl)indole-2-carboxylate (CID 71577435) is 2-(dimethylamino)ethyl 5-methoxy-1-(2-methoxy-2-oxoethyl)indole-2-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 5-methoxy-1-(2-methoxy-2-oxoethyl)indole-2-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 5-methoxy-1-(2-methoxy-2-oxoethyl)indole-2-carboxylate is COC(=O)Cn1c(C(=O)OCCN(C)C)cc2cc(OC)ccc21.
What is the InChIKey of 2-(dimethylamino)ethyl 5-methoxy-1-(2-methoxy-2-oxoethyl)indole-2-carboxylate?
The InChIKey is QEPUZBRAWIHFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-18(2)7-8-24-17(21)15-10-12-9-13(22-3)5-6-14(12)19(15)11-16(20)23-4/h5-6,9-10H,7-8,11H2,1-4H3.
What are the key properties of 2-(dimethylamino)ethyl 5-methoxy-1-(2-methoxy-2-oxoethyl)indole-2-carboxylate?
2-(dimethylamino)ethyl 5-methoxy-1-(2-methoxy-2-oxoethyl)indole-2-carboxylate has a molecular weight of 334.37 g/mol, XLogP of 1.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 5-methoxy-1-(2-methoxy-2-oxoethyl)indole-2-carboxylate is sourced from PubChem (CID 71577435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).