ethyl 5,5-dimethyl-2-(2-phenylethyl)morpholine-4-carboxylate

C17H25NO3 — CID 110707040

IUPACethyl 5,5-dimethyl-2-(2-phenylethyl)morpholine-4-carboxylate
SMILESCCOC(=O)N1CC(CCc2ccccc2)OCC1(C)C
InChIInChI=1S/C17H25NO3/c1-4-20-16(19)18-12-15(21-13-17(18,2)3)11-10-14-8-6-5-7-9-14/h5-9,15H,4,10-13H2,1-3H3
InChIKeyRCSFGBQOQLPSCE-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.26
Rot. Bonds4

About ethyl 5,5-dimethyl-2-(2-phenylethyl)morpholine-4-carboxylate

ethyl 5,5-dimethyl-2-(2-phenylethyl)morpholine-4-carboxylate (PubChem CID 110707040) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 5,5-dimethyl-2-(2-phenylethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5,5-dimethyl-2-(2-phenylethyl)morpholine-4-carboxylate
PubChem CID110707040
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 5,5-dimethyl-2-(2-phenylethyl)morpholine-4-carboxylate
SMILESCCOC(=O)N1CC(CCc2ccccc2)OCC1(C)C
InChIInChI=1S/C17H25NO3/c1-4-20-16(19)18-12-15(21-13-17(18,2)3)11-10-14-8-6-5-7-9-14/h5-9,15H,4,10-13H2,1-3H3
InChIKeyRCSFGBQOQLPSCE-UHFFFAOYSA-N
XLogP3.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,5-dimethyl-2-(2-phenylethyl)morpholine-4-carboxylate?
The IUPAC name of ethyl 5,5-dimethyl-2-(2-phenylethyl)morpholine-4-carboxylate (CID 110707040) is ethyl 5,5-dimethyl-2-(2-phenylethyl)morpholine-4-carboxylate.
What is the SMILES notation for ethyl 5,5-dimethyl-2-(2-phenylethyl)morpholine-4-carboxylate?
The canonical SMILES for ethyl 5,5-dimethyl-2-(2-phenylethyl)morpholine-4-carboxylate is CCOC(=O)N1CC(CCc2ccccc2)OCC1(C)C.
What is the InChIKey of ethyl 5,5-dimethyl-2-(2-phenylethyl)morpholine-4-carboxylate?
The InChIKey is RCSFGBQOQLPSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-20-16(19)18-12-15(21-13-17(18,2)3)11-10-14-8-6-5-7-9-14/h5-9,15H,4,10-13H2,1-3H3.
What are the key properties of ethyl 5,5-dimethyl-2-(2-phenylethyl)morpholine-4-carboxylate?
ethyl 5,5-dimethyl-2-(2-phenylethyl)morpholine-4-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5-dimethyl-2-(2-phenylethyl)morpholine-4-carboxylate is sourced from PubChem (CID 110707040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).