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

C13H24N2O3 — CID 53244979

IUPAC2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1C(=O)OC(C)(C)CN1CC
InChIInChI=1S/C13H24N2O3/c1-5-7-14-11(16)8-10-12(17)18-13(3,4)9-15(10)6-2/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyDHCLDPGPQIWJDK-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.93
Rot. Bonds5

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

2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-propylacetamide (PubChem CID 53244979) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-propylacetamide
PubChem CID53244979
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1C(=O)OC(C)(C)CN1CC
InChIInChI=1S/C13H24N2O3/c1-5-7-14-11(16)8-10-12(17)18-13(3,4)9-15(10)6-2/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyDHCLDPGPQIWJDK-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.93
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-propylacetamide?
The IUPAC name of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-propylacetamide (CID 53244979) is 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-propylacetamide.
What is the SMILES notation for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-propylacetamide?
The canonical SMILES for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-propylacetamide is CCCNC(=O)CC1C(=O)OC(C)(C)CN1CC.
What is the InChIKey of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-propylacetamide?
The InChIKey is DHCLDPGPQIWJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-7-14-11(16)8-10-12(17)18-13(3,4)9-15(10)6-2/h10H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-propylacetamide?
2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-propylacetamide has a molecular weight of 256.35 g/mol, XLogP of 0.93, 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-propylacetamide is sourced from PubChem (CID 53244979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).