2-amino-N-(2,2-dimethyloxan-4-yl)-2-(1-methylpyrazol-4-yl)acetamide

C13H22N4O2 — CID 83033857

IUPAC2-amino-N-(2,2-dimethyloxan-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)NC2CCOC(C)(C)C2)cn1
InChIInChI=1S/C13H22N4O2/c1-13(2)6-10(4-5-19-13)16-12(18)11(14)9-7-15-17(3)8-9/h7-8,10-11H,4-6,14H2,1-3H3,(H,16,18)
InChIKeyCYGMTODWTQGVAT-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.49
Rot. Bonds3

About 2-amino-N-(2,2-dimethyloxan-4-yl)-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-(2,2-dimethyloxan-4-yl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 83033857) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethyloxan-4-yl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethyloxan-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID83033857
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-amino-N-(2,2-dimethyloxan-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)NC2CCOC(C)(C)C2)cn1
InChIInChI=1S/C13H22N4O2/c1-13(2)6-10(4-5-19-13)16-12(18)11(14)9-7-15-17(3)8-9/h7-8,10-11H,4-6,14H2,1-3H3,(H,16,18)
InChIKeyCYGMTODWTQGVAT-UHFFFAOYSA-N
XLogP0.49
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethyloxan-4-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(2,2-dimethyloxan-4-yl)-2-(1-methylpyrazol-4-yl)acetamide (CID 83033857) is 2-amino-N-(2,2-dimethyloxan-4-yl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethyloxan-4-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(2,2-dimethyloxan-4-yl)-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(C(N)C(=O)NC2CCOC(C)(C)C2)cn1.
What is the InChIKey of 2-amino-N-(2,2-dimethyloxan-4-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is CYGMTODWTQGVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2)6-10(4-5-19-13)16-12(18)11(14)9-7-15-17(3)8-9/h7-8,10-11H,4-6,14H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-(2,2-dimethyloxan-4-yl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(2,2-dimethyloxan-4-yl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethyloxan-4-yl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 83033857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).