tert-butyl 5-(2-morpholin-4-ylethyl)indole-1-carboxylate

C19H26N2O3 — CID 66890074

IUPACtert-butyl 5-(2-morpholin-4-ylethyl)indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2cc(CCN3CCOCC3)ccc21
InChIInChI=1S/C19H26N2O3/c1-19(2,3)24-18(22)21-9-7-16-14-15(4-5-17(16)21)6-8-20-10-12-23-13-11-20/h4-5,7,9,14H,6,8,10-13H2,1-3H3
InChIKeyVTKNWXKNEKXWKF-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.30
Rot. Bonds3

About tert-butyl 5-(2-morpholin-4-ylethyl)indole-1-carboxylate

tert-butyl 5-(2-morpholin-4-ylethyl)indole-1-carboxylate (PubChem CID 66890074) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl 5-(2-morpholin-4-ylethyl)indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(2-morpholin-4-ylethyl)indole-1-carboxylate
PubChem CID66890074
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nametert-butyl 5-(2-morpholin-4-ylethyl)indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2cc(CCN3CCOCC3)ccc21
InChIInChI=1S/C19H26N2O3/c1-19(2,3)24-18(22)21-9-7-16-14-15(4-5-17(16)21)6-8-20-10-12-23-13-11-20/h4-5,7,9,14H,6,8,10-13H2,1-3H3
InChIKeyVTKNWXKNEKXWKF-UHFFFAOYSA-N
XLogP3.30
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(2-morpholin-4-ylethyl)indole-1-carboxylate?
The IUPAC name of tert-butyl 5-(2-morpholin-4-ylethyl)indole-1-carboxylate (CID 66890074) is tert-butyl 5-(2-morpholin-4-ylethyl)indole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(2-morpholin-4-ylethyl)indole-1-carboxylate?
The canonical SMILES for tert-butyl 5-(2-morpholin-4-ylethyl)indole-1-carboxylate is CC(C)(C)OC(=O)n1ccc2cc(CCN3CCOCC3)ccc21.
What is the InChIKey of tert-butyl 5-(2-morpholin-4-ylethyl)indole-1-carboxylate?
The InChIKey is VTKNWXKNEKXWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-19(2,3)24-18(22)21-9-7-16-14-15(4-5-17(16)21)6-8-20-10-12-23-13-11-20/h4-5,7,9,14H,6,8,10-13H2,1-3H3.
What are the key properties of tert-butyl 5-(2-morpholin-4-ylethyl)indole-1-carboxylate?
tert-butyl 5-(2-morpholin-4-ylethyl)indole-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(2-morpholin-4-ylethyl)indole-1-carboxylate is sourced from PubChem (CID 66890074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).