2-[4-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide

C16H26N4O4 — CID 132777103

IUPAC2-[4-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide
SMILESCCn1ncc(C(=O)N2CCOC(COC)(CC(=O)NC)C2)c1C
InChIInChI=1S/C16H26N4O4/c1-5-20-12(2)13(9-18-20)15(22)19-6-7-24-16(10-19,11-23-4)8-14(21)17-3/h9H,5-8,10-11H2,1-4H3,(H,17,21)
InChIKeySTPOBVOTOXAWNS-UHFFFAOYSA-N
MW338.41 g/mol
LogP0.21
Rot. Bonds6

About 2-[4-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide

2-[4-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide (PubChem CID 132777103) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[4-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide
PubChem CID132777103
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name2-[4-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide
SMILESCCn1ncc(C(=O)N2CCOC(COC)(CC(=O)NC)C2)c1C
InChIInChI=1S/C16H26N4O4/c1-5-20-12(2)13(9-18-20)15(22)19-6-7-24-16(10-19,11-23-4)8-14(21)17-3/h9H,5-8,10-11H2,1-4H3,(H,17,21)
InChIKeySTPOBVOTOXAWNS-UHFFFAOYSA-N
XLogP0.21
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide (CID 132777103) is 2-[4-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide is CCn1ncc(C(=O)N2CCOC(COC)(CC(=O)NC)C2)c1C.
What is the InChIKey of 2-[4-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide?
The InChIKey is STPOBVOTOXAWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-5-20-12(2)13(9-18-20)15(22)19-6-7-24-16(10-19,11-23-4)8-14(21)17-3/h9H,5-8,10-11H2,1-4H3,(H,17,21).
What are the key properties of 2-[4-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide?
2-[4-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide has a molecular weight of 338.41 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide is sourced from PubChem (CID 132777103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).