2-[but-2-ynyl(prop-2-ynyl)amino]-N-cyclopentylacetamide

C14H20N2O — CID 71988860

IUPAC2-[but-2-ynyl(prop-2-ynyl)amino]-N-cyclopentylacetamide
SMILESC#CCN(CC#CC)CC(=O)NC1CCCC1
InChIInChI=1S/C14H20N2O/c1-3-5-11-16(10-4-2)12-14(17)15-13-8-6-7-9-13/h2,13H,6-12H2,1H3,(H,15,17)
InChIKeyWVMACMYEDAQXAO-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.00
Rot. Bonds5

About 2-[but-2-ynyl(prop-2-ynyl)amino]-N-cyclopentylacetamide

2-[but-2-ynyl(prop-2-ynyl)amino]-N-cyclopentylacetamide (PubChem CID 71988860) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[but-2-ynyl(prop-2-ynyl)amino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[but-2-ynyl(prop-2-ynyl)amino]-N-cyclopentylacetamide
PubChem CID71988860
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[but-2-ynyl(prop-2-ynyl)amino]-N-cyclopentylacetamide
SMILESC#CCN(CC#CC)CC(=O)NC1CCCC1
InChIInChI=1S/C14H20N2O/c1-3-5-11-16(10-4-2)12-14(17)15-13-8-6-7-9-13/h2,13H,6-12H2,1H3,(H,15,17)
InChIKeyWVMACMYEDAQXAO-UHFFFAOYSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[but-2-ynyl(prop-2-ynyl)amino]-N-cyclopentylacetamide?
The IUPAC name of 2-[but-2-ynyl(prop-2-ynyl)amino]-N-cyclopentylacetamide (CID 71988860) is 2-[but-2-ynyl(prop-2-ynyl)amino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[but-2-ynyl(prop-2-ynyl)amino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[but-2-ynyl(prop-2-ynyl)amino]-N-cyclopentylacetamide is C#CCN(CC#CC)CC(=O)NC1CCCC1.
What is the InChIKey of 2-[but-2-ynyl(prop-2-ynyl)amino]-N-cyclopentylacetamide?
The InChIKey is WVMACMYEDAQXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-5-11-16(10-4-2)12-14(17)15-13-8-6-7-9-13/h2,13H,6-12H2,1H3,(H,15,17).
What are the key properties of 2-[but-2-ynyl(prop-2-ynyl)amino]-N-cyclopentylacetamide?
2-[but-2-ynyl(prop-2-ynyl)amino]-N-cyclopentylacetamide has a molecular weight of 232.33 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[but-2-ynyl(prop-2-ynyl)amino]-N-cyclopentylacetamide is sourced from PubChem (CID 71988860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).