4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide

C16H22N2O3 — CID 25162499

IUPAC4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide
SMILESO=C(CCC(=O)N1CCOCC1)NCCc1ccccc1
InChIInChI=1S/C16H22N2O3/c19-15(17-9-8-14-4-2-1-3-5-14)6-7-16(20)18-10-12-21-13-11-18/h1-5H,6-13H2,(H,17,19)
InChIKeyGXPBXBMSTBHSAS-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.98
Rot. Bonds6

About 4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide

4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide (PubChem CID 25162499) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide
PubChem CID25162499
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide
SMILESO=C(CCC(=O)N1CCOCC1)NCCc1ccccc1
InChIInChI=1S/C16H22N2O3/c19-15(17-9-8-14-4-2-1-3-5-14)6-7-16(20)18-10-12-21-13-11-18/h1-5H,6-13H2,(H,17,19)
InChIKeyGXPBXBMSTBHSAS-UHFFFAOYSA-N
XLogP0.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide?
The IUPAC name of 4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide (CID 25162499) is 4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide?
The canonical SMILES for 4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide is O=C(CCC(=O)N1CCOCC1)NCCc1ccccc1.
What is the InChIKey of 4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide?
The InChIKey is GXPBXBMSTBHSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(17-9-8-14-4-2-1-3-5-14)6-7-16(20)18-10-12-21-13-11-18/h1-5H,6-13H2,(H,17,19).
What are the key properties of 4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide?
4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide has a molecular weight of 290.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 25162499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).