methyl 2-benzamido-2-cyclohexylideneacetate

C16H19NO3 — CID 739172

IUPACmethyl 2-benzamido-2-cyclohexylideneacetate
SMILESCOC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1
InChIInChI=1S/C16H19NO3/c1-20-16(19)14(12-8-4-2-5-9-12)17-15(18)13-10-6-3-7-11-13/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,17,18)
InChIKeyAZYIHOBPANSGMO-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.81
Rot. Bonds3

About methyl 2-benzamido-2-cyclohexylideneacetate

methyl 2-benzamido-2-cyclohexylideneacetate (PubChem CID 739172) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-benzamido-2-cyclohexylideneacetate.

Molecular Properties

Compound Namemethyl 2-benzamido-2-cyclohexylideneacetate
PubChem CID739172
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 2-benzamido-2-cyclohexylideneacetate
SMILESCOC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1
InChIInChI=1S/C16H19NO3/c1-20-16(19)14(12-8-4-2-5-9-12)17-15(18)13-10-6-3-7-11-13/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,17,18)
InChIKeyAZYIHOBPANSGMO-UHFFFAOYSA-N
XLogP2.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-2-cyclohexylideneacetate?
The IUPAC name of methyl 2-benzamido-2-cyclohexylideneacetate (CID 739172) is methyl 2-benzamido-2-cyclohexylideneacetate.
What is the SMILES notation for methyl 2-benzamido-2-cyclohexylideneacetate?
The canonical SMILES for methyl 2-benzamido-2-cyclohexylideneacetate is COC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1.
What is the InChIKey of methyl 2-benzamido-2-cyclohexylideneacetate?
The InChIKey is AZYIHOBPANSGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-20-16(19)14(12-8-4-2-5-9-12)17-15(18)13-10-6-3-7-11-13/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,17,18).
What are the key properties of methyl 2-benzamido-2-cyclohexylideneacetate?
methyl 2-benzamido-2-cyclohexylideneacetate has a molecular weight of 273.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-2-cyclohexylideneacetate is sourced from PubChem (CID 739172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).