2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-propylpyrazol-3-yl)acetamide

C16H28N4O2 — CID 111461985

IUPAC2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nccc1NC(=O)CN(CCO)C1CCCCC1
InChIInChI=1S/C16H28N4O2/c1-2-10-20-15(8-9-17-20)18-16(22)13-19(11-12-21)14-6-4-3-5-7-14/h8-9,14,21H,2-7,10-13H2,1H3,(H,18,22)
InChIKeyOFYKCJMCTDHOEC-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.86
Rot. Bonds8

About 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-propylpyrazol-3-yl)acetamide

2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-propylpyrazol-3-yl)acetamide (PubChem CID 111461985) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-propylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-propylpyrazol-3-yl)acetamide
PubChem CID111461985
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nccc1NC(=O)CN(CCO)C1CCCCC1
InChIInChI=1S/C16H28N4O2/c1-2-10-20-15(8-9-17-20)18-16(22)13-19(11-12-21)14-6-4-3-5-7-14/h8-9,14,21H,2-7,10-13H2,1H3,(H,18,22)
InChIKeyOFYKCJMCTDHOEC-UHFFFAOYSA-N
XLogP1.86
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-propylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-propylpyrazol-3-yl)acetamide (CID 111461985) is 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-propylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-propylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-propylpyrazol-3-yl)acetamide is CCCn1nccc1NC(=O)CN(CCO)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-propylpyrazol-3-yl)acetamide?
The InChIKey is OFYKCJMCTDHOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-2-10-20-15(8-9-17-20)18-16(22)13-19(11-12-21)14-6-4-3-5-7-14/h8-9,14,21H,2-7,10-13H2,1H3,(H,18,22).
What are the key properties of 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-propylpyrazol-3-yl)acetamide?
2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-propylpyrazol-3-yl)acetamide has a molecular weight of 308.43 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-propylpyrazol-3-yl)acetamide is sourced from PubChem (CID 111461985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).