N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-3-yl)acetamide

C15H27N3O2 — CID 56794457

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-3-yl)acetamide
SMILESCOCCN(CC(C)C)C(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C15H27N3O2/c1-12(2)11-17(8-9-20-5)15(19)10-14-6-7-18(16-14)13(3)4/h6-7,12-13H,8-11H2,1-5H3
InChIKeyQVKWJOQUBPAGAI-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.14
Rot. Bonds8

About N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-3-yl)acetamide

N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 56794457) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID56794457
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-3-yl)acetamide
SMILESCOCCN(CC(C)C)C(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C15H27N3O2/c1-12(2)11-17(8-9-20-5)15(19)10-14-6-7-18(16-14)13(3)4/h6-7,12-13H,8-11H2,1-5H3
InChIKeyQVKWJOQUBPAGAI-UHFFFAOYSA-N
XLogP2.14
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-3-yl)acetamide (CID 56794457) is N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-3-yl)acetamide is COCCN(CC(C)C)C(=O)Cc1ccn(C(C)C)n1.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is QVKWJOQUBPAGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12(2)11-17(8-9-20-5)15(19)10-14-6-7-18(16-14)13(3)4/h6-7,12-13H,8-11H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-3-yl)acetamide?
N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 281.40 g/mol, XLogP of 2.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 56794457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).