tert-butyl 4-(4-ethyl-5-oxomorpholin-2-yl)indole-1-carboxylate

C19H24N2O4 — CID 13144042

IUPACtert-butyl 4-(4-ethyl-5-oxomorpholin-2-yl)indole-1-carboxylate
SMILESCCN1CC(c2cccc3c2ccn3C(=O)OC(C)(C)C)OCC1=O
InChIInChI=1S/C19H24N2O4/c1-5-20-11-16(24-12-17(20)22)14-7-6-8-15-13(14)9-10-21(15)18(23)25-19(2,3)4/h6-10,16H,5,11-12H2,1-4H3
InChIKeyVIFQLVWRJOFVCC-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.34
Rot. Bonds2

About tert-butyl 4-(4-ethyl-5-oxomorpholin-2-yl)indole-1-carboxylate

tert-butyl 4-(4-ethyl-5-oxomorpholin-2-yl)indole-1-carboxylate (PubChem CID 13144042) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is tert-butyl 4-(4-ethyl-5-oxomorpholin-2-yl)indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-ethyl-5-oxomorpholin-2-yl)indole-1-carboxylate
PubChem CID13144042
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nametert-butyl 4-(4-ethyl-5-oxomorpholin-2-yl)indole-1-carboxylate
SMILESCCN1CC(c2cccc3c2ccn3C(=O)OC(C)(C)C)OCC1=O
InChIInChI=1S/C19H24N2O4/c1-5-20-11-16(24-12-17(20)22)14-7-6-8-15-13(14)9-10-21(15)18(23)25-19(2,3)4/h6-10,16H,5,11-12H2,1-4H3
InChIKeyVIFQLVWRJOFVCC-UHFFFAOYSA-N
XLogP3.34
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-cyclopropylindole-1-carboxylate;4-cyclopropyl-1H-indole
CID 159357421
tert-butyl 4-oxoquinoline-1-carboxylate
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tert-butyl 4-[(E)-2-bromoethenyl]indole-1-carboxylate
CID 170222267
tert-butyl 4-isocyanoindole-1-carboxylate
CID 58559213
tert-butyl 2-[(2S)-2-(3-bromophenyl)-5-oxomorpholin-4-yl]acetate
CID 129373502
tert-butyl 4-[(2E)-2-(2-methoxy-2-oxoethylidene)cyclopentyl]indole-1-carboxylate
CID 101391363
tert-butyl 4-(1-aminoethenyl)indole-1-carboxylate
CID 89045891
tert-butyl 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)indole-1-carboxylate
CID 165124460
tert-butyl 4-(difluoromethoxy)indole-1-carboxylate
CID 133063423
tert-butyl 4-(2-pyrrolidin-1-ylethoxy)indole-1-carboxylate
CID 23544628
tert-butyl 4-(2-cyanopropan-2-ylamino)indole-1-carboxylate
CID 163283186

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-ethyl-5-oxomorpholin-2-yl)indole-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-ethyl-5-oxomorpholin-2-yl)indole-1-carboxylate (CID 13144042) is tert-butyl 4-(4-ethyl-5-oxomorpholin-2-yl)indole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-ethyl-5-oxomorpholin-2-yl)indole-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-ethyl-5-oxomorpholin-2-yl)indole-1-carboxylate is CCN1CC(c2cccc3c2ccn3C(=O)OC(C)(C)C)OCC1=O.
What is the InChIKey of tert-butyl 4-(4-ethyl-5-oxomorpholin-2-yl)indole-1-carboxylate?
The InChIKey is VIFQLVWRJOFVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-5-20-11-16(24-12-17(20)22)14-7-6-8-15-13(14)9-10-21(15)18(23)25-19(2,3)4/h6-10,16H,5,11-12H2,1-4H3.
What are the key properties of tert-butyl 4-(4-ethyl-5-oxomorpholin-2-yl)indole-1-carboxylate?
tert-butyl 4-(4-ethyl-5-oxomorpholin-2-yl)indole-1-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-ethyl-5-oxomorpholin-2-yl)indole-1-carboxylate is sourced from PubChem (CID 13144042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).