N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide

C17H27N3O2 — CID 71980181

IUPACN-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCCOC1CC(NC(=O)Cc2cnn(C)c2)C12CCCCC2
InChIInChI=1S/C17H27N3O2/c1-3-22-15-10-14(17(15)7-5-4-6-8-17)19-16(21)9-13-11-18-20(2)12-13/h11-12,14-15H,3-10H2,1-2H3,(H,19,21)
InChIKeyYXNSMBSVYLOBSB-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.21
Rot. Bonds5

About N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide

N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 71980181) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID71980181
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCCOC1CC(NC(=O)Cc2cnn(C)c2)C12CCCCC2
InChIInChI=1S/C17H27N3O2/c1-3-22-15-10-14(17(15)7-5-4-6-8-17)19-16(21)9-13-11-18-20(2)12-13/h11-12,14-15H,3-10H2,1-2H3,(H,19,21)
InChIKeyYXNSMBSVYLOBSB-UHFFFAOYSA-N
XLogP2.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide (CID 71980181) is N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide is CCOC1CC(NC(=O)Cc2cnn(C)c2)C12CCCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is YXNSMBSVYLOBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-22-15-10-14(17(15)7-5-4-6-8-17)19-16(21)9-13-11-18-20(2)12-13/h11-12,14-15H,3-10H2,1-2H3,(H,19,21).
What are the key properties of N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide?
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 71980181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).