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

C12H22N2O3 — CID 53245042

IUPACN-ethyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
SMILESCCNC(=O)CC1C(=O)OC(C)(C)CN1CC
InChIInChI=1S/C12H22N2O3/c1-5-13-10(15)7-9-11(16)17-12(3,4)8-14(9)6-2/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyKDSQUINICUYYSZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds4

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

N-ethyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide (PubChem CID 53245042) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-ethyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
PubChem CID53245042
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-ethyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
SMILESCCNC(=O)CC1C(=O)OC(C)(C)CN1CC
InChIInChI=1S/C12H22N2O3/c1-5-13-10(15)7-9-11(16)17-12(3,4)8-14(9)6-2/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyKDSQUINICUYYSZ-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
The IUPAC name of N-ethyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide (CID 53245042) is N-ethyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
The canonical SMILES for N-ethyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide is CCNC(=O)CC1C(=O)OC(C)(C)CN1CC.
What is the InChIKey of N-ethyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
The InChIKey is KDSQUINICUYYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-5-13-10(15)7-9-11(16)17-12(3,4)8-14(9)6-2/h9H,5-8H2,1-4H3,(H,13,15).
What are the key properties of N-ethyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
N-ethyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide has a molecular weight of 242.32 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide is sourced from PubChem (CID 53245042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).