N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide

C16H25N3O2 — CID 71993496

IUPACN-(3-ethoxyspiro[3.4]octan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCCOC1CC(NC(=O)Cc2cnn(C)c2)C12CCCC2
InChIInChI=1S/C16H25N3O2/c1-3-21-14-9-13(16(14)6-4-5-7-16)18-15(20)8-12-10-17-19(2)11-12/h10-11,13-14H,3-9H2,1-2H3,(H,18,20)
InChIKeyZKEHDDTZAQELPH-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.82
Rot. Bonds5

About N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide

N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 71993496) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.4]octan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID71993496
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(3-ethoxyspiro[3.4]octan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCCOC1CC(NC(=O)Cc2cnn(C)c2)C12CCCC2
InChIInChI=1S/C16H25N3O2/c1-3-21-14-9-13(16(14)6-4-5-7-16)18-15(20)8-12-10-17-19(2)11-12/h10-11,13-14H,3-9H2,1-2H3,(H,18,20)
InChIKeyZKEHDDTZAQELPH-UHFFFAOYSA-N
XLogP1.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide (CID 71993496) is N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide is CCOC1CC(NC(=O)Cc2cnn(C)c2)C12CCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is ZKEHDDTZAQELPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-21-14-9-13(16(14)6-4-5-7-16)18-15(20)8-12-10-17-19(2)11-12/h10-11,13-14H,3-9H2,1-2H3,(H,18,20).
What are the key properties of N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide?
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 71993496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).