2-cyclohexyl-N-ethanimidoylacetamide

C10H18N2O — CID 170343101

IUPAC2-cyclohexyl-N-ethanimidoylacetamide
SMILES[H]/N=C(\C)NC(=O)CC1CCCCC1
InChIInChI=1S/C10H18N2O/c1-8(11)12-10(13)7-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H2,11,12,13)
InChIKeyFECZDFFTYKYPFW-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.07
Rot. Bonds2

About 2-cyclohexyl-N-ethanimidoylacetamide

2-cyclohexyl-N-ethanimidoylacetamide (PubChem CID 170343101) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-cyclohexyl-N-ethanimidoylacetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-ethanimidoylacetamide
PubChem CID170343101
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-cyclohexyl-N-ethanimidoylacetamide
SMILES[H]/N=C(\C)NC(=O)CC1CCCCC1
InChIInChI=1S/C10H18N2O/c1-8(11)12-10(13)7-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H2,11,12,13)
InChIKeyFECZDFFTYKYPFW-UHFFFAOYSA-N
XLogP2.07
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-ethanimidoylacetamide?
The IUPAC name of 2-cyclohexyl-N-ethanimidoylacetamide (CID 170343101) is 2-cyclohexyl-N-ethanimidoylacetamide.
What is the SMILES notation for 2-cyclohexyl-N-ethanimidoylacetamide?
The canonical SMILES for 2-cyclohexyl-N-ethanimidoylacetamide is [H]/N=C(\C)NC(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-ethanimidoylacetamide?
The InChIKey is FECZDFFTYKYPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(11)12-10(13)7-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H2,11,12,13).
What are the key properties of 2-cyclohexyl-N-ethanimidoylacetamide?
2-cyclohexyl-N-ethanimidoylacetamide has a molecular weight of 182.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-ethanimidoylacetamide is sourced from PubChem (CID 170343101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).