2-morpholin-4-yl-2-oxo-N-(4-phenylbutan-2-yl)acetamide

C16H22N2O3 — CID 2908498

IUPAC2-morpholin-4-yl-2-oxo-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C16H22N2O3/c1-13(7-8-14-5-3-2-4-6-14)17-15(19)16(20)18-9-11-21-12-10-18/h2-6,13H,7-12H2,1H3,(H,17,19)
InChIKeyXOQRDNCZCGWZOR-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.98
Rot. Bonds4

About 2-morpholin-4-yl-2-oxo-N-(4-phenylbutan-2-yl)acetamide

2-morpholin-4-yl-2-oxo-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 2908498) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-oxo-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-2-oxo-N-(4-phenylbutan-2-yl)acetamide
PubChem CID2908498
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-morpholin-4-yl-2-oxo-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C16H22N2O3/c1-13(7-8-14-5-3-2-4-6-14)17-15(19)16(20)18-9-11-21-12-10-18/h2-6,13H,7-12H2,1H3,(H,17,19)
InChIKeyXOQRDNCZCGWZOR-UHFFFAOYSA-N
XLogP0.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-oxo-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-morpholin-4-yl-2-oxo-N-(4-phenylbutan-2-yl)acetamide (CID 2908498) is 2-morpholin-4-yl-2-oxo-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-morpholin-4-yl-2-oxo-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-morpholin-4-yl-2-oxo-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)C(=O)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-2-oxo-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is XOQRDNCZCGWZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-13(7-8-14-5-3-2-4-6-14)17-15(19)16(20)18-9-11-21-12-10-18/h2-6,13H,7-12H2,1H3,(H,17,19).
What are the key properties of 2-morpholin-4-yl-2-oxo-N-(4-phenylbutan-2-yl)acetamide?
2-morpholin-4-yl-2-oxo-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 290.36 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-oxo-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 2908498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).