2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide

C18H28N2O3 — CID 111455922

IUPAC2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide
SMILESCCC1CN(C(=O)NCC(CCO)c2ccccc2)CC(C)O1
InChIInChI=1S/C18H28N2O3/c1-3-17-13-20(12-14(2)23-17)18(22)19-11-16(9-10-21)15-7-5-4-6-8-15/h4-8,14,16-17,21H,3,9-13H2,1-2H3,(H,19,22)
InChIKeyUIILFEDFHGBXAW-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.36
Rot. Bonds6

About 2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide

2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide (PubChem CID 111455922) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide
PubChem CID111455922
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide
SMILESCCC1CN(C(=O)NCC(CCO)c2ccccc2)CC(C)O1
InChIInChI=1S/C18H28N2O3/c1-3-17-13-20(12-14(2)23-17)18(22)19-11-16(9-10-21)15-7-5-4-6-8-15/h4-8,14,16-17,21H,3,9-13H2,1-2H3,(H,19,22)
InChIKeyUIILFEDFHGBXAW-UHFFFAOYSA-N
XLogP2.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide?
The IUPAC name of 2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide (CID 111455922) is 2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide?
The canonical SMILES for 2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide is CCC1CN(C(=O)NCC(CCO)c2ccccc2)CC(C)O1.
What is the InChIKey of 2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide?
The InChIKey is UIILFEDFHGBXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-17-13-20(12-14(2)23-17)18(22)19-11-16(9-10-21)15-7-5-4-6-8-15/h4-8,14,16-17,21H,3,9-13H2,1-2H3,(H,19,22).
What are the key properties of 2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide?
2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide is sourced from PubChem (CID 111455922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).