N-(cyanomethyl)-3-cyclohexyl-N-prop-2-ynylpropanamide

C14H20N2O — CID 114208844

IUPACN-(cyanomethyl)-3-cyclohexyl-N-prop-2-ynylpropanamide
SMILESC#CCN(CC#N)C(=O)CCC1CCCCC1
InChIInChI=1S/C14H20N2O/c1-2-11-16(12-10-15)14(17)9-8-13-6-4-3-5-7-13/h1,13H,3-9,11-12H2
InChIKeyJQCGGIPWPFOWKJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.33
Rot. Bonds5

About N-(cyanomethyl)-3-cyclohexyl-N-prop-2-ynylpropanamide

N-(cyanomethyl)-3-cyclohexyl-N-prop-2-ynylpropanamide (PubChem CID 114208844) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(cyanomethyl)-3-cyclohexyl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-cyclohexyl-N-prop-2-ynylpropanamide
PubChem CID114208844
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(cyanomethyl)-3-cyclohexyl-N-prop-2-ynylpropanamide
SMILESC#CCN(CC#N)C(=O)CCC1CCCCC1
InChIInChI=1S/C14H20N2O/c1-2-11-16(12-10-15)14(17)9-8-13-6-4-3-5-7-13/h1,13H,3-9,11-12H2
InChIKeyJQCGGIPWPFOWKJ-UHFFFAOYSA-N
XLogP2.33
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-cyclohexyl-N-prop-2-ynylpropanamide?
The IUPAC name of N-(cyanomethyl)-3-cyclohexyl-N-prop-2-ynylpropanamide (CID 114208844) is N-(cyanomethyl)-3-cyclohexyl-N-prop-2-ynylpropanamide.
What is the SMILES notation for N-(cyanomethyl)-3-cyclohexyl-N-prop-2-ynylpropanamide?
The canonical SMILES for N-(cyanomethyl)-3-cyclohexyl-N-prop-2-ynylpropanamide is C#CCN(CC#N)C(=O)CCC1CCCCC1.
What is the InChIKey of N-(cyanomethyl)-3-cyclohexyl-N-prop-2-ynylpropanamide?
The InChIKey is JQCGGIPWPFOWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-11-16(12-10-15)14(17)9-8-13-6-4-3-5-7-13/h1,13H,3-9,11-12H2.
What are the key properties of N-(cyanomethyl)-3-cyclohexyl-N-prop-2-ynylpropanamide?
N-(cyanomethyl)-3-cyclohexyl-N-prop-2-ynylpropanamide has a molecular weight of 232.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-cyclohexyl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 114208844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).