2-[bis(oxolan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide

C17H28N4O3 — CID 51081668

IUPAC2-[bis(oxolan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(CC2CCCO2)CC2CCCO2)n(C)n1
InChIInChI=1S/C17H28N4O3/c1-13-9-16(20(2)19-13)18-17(22)12-21(10-14-5-3-7-23-14)11-15-6-4-8-24-15/h9,14-15H,3-8,10-12H2,1-2H3,(H,18,22)
InChIKeyXPWNXACIIBIVJW-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.33
Rot. Bonds7

About 2-[bis(oxolan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-[bis(oxolan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 51081668) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[bis(oxolan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[bis(oxolan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID51081668
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name2-[bis(oxolan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(CC2CCCO2)CC2CCCO2)n(C)n1
InChIInChI=1S/C17H28N4O3/c1-13-9-16(20(2)19-13)18-17(22)12-21(10-14-5-3-7-23-14)11-15-6-4-8-24-15/h9,14-15H,3-8,10-12H2,1-2H3,(H,18,22)
InChIKeyXPWNXACIIBIVJW-UHFFFAOYSA-N
XLogP1.33
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(oxolan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[bis(oxolan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 51081668) is 2-[bis(oxolan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[bis(oxolan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[bis(oxolan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CN(CC2CCCO2)CC2CCCO2)n(C)n1.
What is the InChIKey of 2-[bis(oxolan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is XPWNXACIIBIVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-13-9-16(20(2)19-13)18-17(22)12-21(10-14-5-3-7-23-14)11-15-6-4-8-24-15/h9,14-15H,3-8,10-12H2,1-2H3,(H,18,22).
What are the key properties of 2-[bis(oxolan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-[bis(oxolan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 336.44 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(oxolan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 51081668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).