2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-methyl-N-phenylacetamide

C17H24N2O3 — CID 53244908

IUPAC2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-methyl-N-phenylacetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)N(C)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-5-19-12-17(2,3)22-16(21)14(19)11-15(20)18(4)13-9-7-6-8-10-13/h6-10,14H,5,11-12H2,1-4H3
InChIKeyRXAUAWBFFZEKEY-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.07
Rot. Bonds4

About 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-methyl-N-phenylacetamide

2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-methyl-N-phenylacetamide (PubChem CID 53244908) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-methyl-N-phenylacetamide
PubChem CID53244908
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-methyl-N-phenylacetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)N(C)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-5-19-12-17(2,3)22-16(21)14(19)11-15(20)18(4)13-9-7-6-8-10-13/h6-10,14H,5,11-12H2,1-4H3
InChIKeyRXAUAWBFFZEKEY-UHFFFAOYSA-N
XLogP2.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.07
H-Bond Donors ≤ 50
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-methyl-N-phenylacetamide?
The IUPAC name of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-methyl-N-phenylacetamide (CID 53244908) is 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-methyl-N-phenylacetamide is CCN1CC(C)(C)OC(=O)C1CC(=O)N(C)c1ccccc1.
What is the InChIKey of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-methyl-N-phenylacetamide?
The InChIKey is RXAUAWBFFZEKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-5-19-12-17(2,3)22-16(21)14(19)11-15(20)18(4)13-9-7-6-8-10-13/h6-10,14H,5,11-12H2,1-4H3.
What are the key properties of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-methyl-N-phenylacetamide?
2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-methyl-N-phenylacetamide has a molecular weight of 304.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 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-methyl-N-phenylacetamide is sourced from PubChem (CID 53244908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).