ethyl 2-benzamido-2-cyclohexylideneacetate

C17H21NO3 — CID 2191400

IUPACethyl 2-benzamido-2-cyclohexylideneacetate
SMILESCCOC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1
InChIInChI=1S/C17H21NO3/c1-2-21-17(20)15(13-9-5-3-6-10-13)18-16(19)14-11-7-4-8-12-14/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3,(H,18,19)
InChIKeyJKJWBOPYSQRBGB-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.20
Rot. Bonds4

About ethyl 2-benzamido-2-cyclohexylideneacetate

ethyl 2-benzamido-2-cyclohexylideneacetate (PubChem CID 2191400) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 2-benzamido-2-cyclohexylideneacetate.

Molecular Properties

Compound Nameethyl 2-benzamido-2-cyclohexylideneacetate
PubChem CID2191400
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Nameethyl 2-benzamido-2-cyclohexylideneacetate
SMILESCCOC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1
InChIInChI=1S/C17H21NO3/c1-2-21-17(20)15(13-9-5-3-6-10-13)18-16(19)14-11-7-4-8-12-14/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3,(H,18,19)
InChIKeyJKJWBOPYSQRBGB-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.20
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamido-2-cyclohexylideneacetate?
The IUPAC name of ethyl 2-benzamido-2-cyclohexylideneacetate (CID 2191400) is ethyl 2-benzamido-2-cyclohexylideneacetate.
What is the SMILES notation for ethyl 2-benzamido-2-cyclohexylideneacetate?
The canonical SMILES for ethyl 2-benzamido-2-cyclohexylideneacetate is CCOC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1.
What is the InChIKey of ethyl 2-benzamido-2-cyclohexylideneacetate?
The InChIKey is JKJWBOPYSQRBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-21-17(20)15(13-9-5-3-6-10-13)18-16(19)14-11-7-4-8-12-14/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3,(H,18,19).
What are the key properties of ethyl 2-benzamido-2-cyclohexylideneacetate?
ethyl 2-benzamido-2-cyclohexylideneacetate has a molecular weight of 287.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamido-2-cyclohexylideneacetate is sourced from PubChem (CID 2191400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).