2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide

C19H28N2O3 — CID 53244396

IUPAC2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H28N2O3/c1-6-21-12-19(4,5)24-18(23)16(21)11-17(22)20-15-9-7-14(8-10-15)13(2)3/h7-10,13,16H,6,11-12H2,1-5H3,(H,20,22)
InChIKeyQPLWIEGBKHLNPO-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.16
Rot. Bonds5

About 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide

2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 53244396) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID53244396
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H28N2O3/c1-6-21-12-19(4,5)24-18(23)16(21)11-17(22)20-15-9-7-14(8-10-15)13(2)3/h7-10,13,16H,6,11-12H2,1-5H3,(H,20,22)
InChIKeyQPLWIEGBKHLNPO-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 53244396) is 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide is CCN1CC(C)(C)OC(=O)C1CC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is QPLWIEGBKHLNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-6-21-12-19(4,5)24-18(23)16(21)11-17(22)20-15-9-7-14(8-10-15)13(2)3/h7-10,13,16H,6,11-12H2,1-5H3,(H,20,22).
What are the key properties of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 332.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 53244396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).