N-[4-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-1-methylpyrazol-3-yl]acetamide

C14H22N4O3 — CID 140597151

IUPACN-[4-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-1-methylpyrazol-3-yl]acetamide
SMILESCCN1CC(C)(C)OC(=O)C1c1cn(C)nc1NC(C)=O
InChIInChI=1S/C14H22N4O3/c1-6-18-8-14(3,4)21-13(20)11(18)10-7-17(5)16-12(10)15-9(2)19/h7,11H,6,8H2,1-5H3,(H,15,16,19)
InChIKeyGQHSWPMHHATMDJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.08
Rot. Bonds3

About N-[4-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-1-methylpyrazol-3-yl]acetamide

N-[4-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-1-methylpyrazol-3-yl]acetamide (PubChem CID 140597151) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[4-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-1-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-1-methylpyrazol-3-yl]acetamide
PubChem CID140597151
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN-[4-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-1-methylpyrazol-3-yl]acetamide
SMILESCCN1CC(C)(C)OC(=O)C1c1cn(C)nc1NC(C)=O
InChIInChI=1S/C14H22N4O3/c1-6-18-8-14(3,4)21-13(20)11(18)10-7-17(5)16-12(10)15-9(2)19/h7,11H,6,8H2,1-5H3,(H,15,16,19)
InChIKeyGQHSWPMHHATMDJ-UHFFFAOYSA-N
XLogP1.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-1-methylpyrazol-3-yl]acetamide?
The IUPAC name of N-[4-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-1-methylpyrazol-3-yl]acetamide (CID 140597151) is N-[4-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-1-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for N-[4-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-1-methylpyrazol-3-yl]acetamide?
The canonical SMILES for N-[4-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-1-methylpyrazol-3-yl]acetamide is CCN1CC(C)(C)OC(=O)C1c1cn(C)nc1NC(C)=O.
What is the InChIKey of N-[4-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-1-methylpyrazol-3-yl]acetamide?
The InChIKey is GQHSWPMHHATMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-6-18-8-14(3,4)21-13(20)11(18)10-7-17(5)16-12(10)15-9(2)19/h7,11H,6,8H2,1-5H3,(H,15,16,19).
What are the key properties of N-[4-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-1-methylpyrazol-3-yl]acetamide?
N-[4-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-1-methylpyrazol-3-yl]acetamide has a molecular weight of 294.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-1-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 140597151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).