2-cyano-N-[2-[(2-cyclohexylideneacetyl)amino]ethyl]acetamide

C13H19N3O2 — CID 108921914

IUPAC2-cyano-N-[2-[(2-cyclohexylideneacetyl)amino]ethyl]acetamide
SMILESN#CCC(=O)NCCNC(=O)C=C1CCCCC1
InChIInChI=1S/C13H19N3O2/c14-7-6-12(17)15-8-9-16-13(18)10-11-4-2-1-3-5-11/h10H,1-6,8-9H2,(H,15,17)(H,16,18)
InChIKeyKUEIONLQQIUMIZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.02
Rot. Bonds5

About 2-cyano-N-[2-[(2-cyclohexylideneacetyl)amino]ethyl]acetamide

2-cyano-N-[2-[(2-cyclohexylideneacetyl)amino]ethyl]acetamide (PubChem CID 108921914) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyano-N-[2-[(2-cyclohexylideneacetyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[(2-cyclohexylideneacetyl)amino]ethyl]acetamide
PubChem CID108921914
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-cyano-N-[2-[(2-cyclohexylideneacetyl)amino]ethyl]acetamide
SMILESN#CCC(=O)NCCNC(=O)C=C1CCCCC1
InChIInChI=1S/C13H19N3O2/c14-7-6-12(17)15-8-9-16-13(18)10-11-4-2-1-3-5-11/h10H,1-6,8-9H2,(H,15,17)(H,16,18)
InChIKeyKUEIONLQQIUMIZ-UHFFFAOYSA-N
XLogP1.02
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[(2-cyclohexylideneacetyl)amino]ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[(2-cyclohexylideneacetyl)amino]ethyl]acetamide (CID 108921914) is 2-cyano-N-[2-[(2-cyclohexylideneacetyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[(2-cyclohexylideneacetyl)amino]ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[(2-cyclohexylideneacetyl)amino]ethyl]acetamide is N#CCC(=O)NCCNC(=O)C=C1CCCCC1.
What is the InChIKey of 2-cyano-N-[2-[(2-cyclohexylideneacetyl)amino]ethyl]acetamide?
The InChIKey is KUEIONLQQIUMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-7-6-12(17)15-8-9-16-13(18)10-11-4-2-1-3-5-11/h10H,1-6,8-9H2,(H,15,17)(H,16,18).
What are the key properties of 2-cyano-N-[2-[(2-cyclohexylideneacetyl)amino]ethyl]acetamide?
2-cyano-N-[2-[(2-cyclohexylideneacetyl)amino]ethyl]acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[(2-cyclohexylideneacetyl)amino]ethyl]acetamide is sourced from PubChem (CID 108921914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).