propan-2-yl 2-benzamido-2-cyclohexylideneacetate

C18H23NO3 — CID 2282473

IUPACpropan-2-yl 2-benzamido-2-cyclohexylideneacetate
SMILESCC(C)OC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1
InChIInChI=1S/C18H23NO3/c1-13(2)22-18(21)16(14-9-5-3-6-10-14)19-17(20)15-11-7-4-8-12-15/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3,(H,19,20)
InChIKeyAFNRBEUNLSPZJF-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.59
Rot. Bonds4

About propan-2-yl 2-benzamido-2-cyclohexylideneacetate

propan-2-yl 2-benzamido-2-cyclohexylideneacetate (PubChem CID 2282473) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is propan-2-yl 2-benzamido-2-cyclohexylideneacetate.

Molecular Properties

Compound Namepropan-2-yl 2-benzamido-2-cyclohexylideneacetate
PubChem CID2282473
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Namepropan-2-yl 2-benzamido-2-cyclohexylideneacetate
SMILESCC(C)OC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1
InChIInChI=1S/C18H23NO3/c1-13(2)22-18(21)16(14-9-5-3-6-10-14)19-17(20)15-11-7-4-8-12-15/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3,(H,19,20)
InChIKeyAFNRBEUNLSPZJF-UHFFFAOYSA-N
XLogP3.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.59
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 propan-2-yl 2-benzamido-2-cyclohexylideneacetate?
The IUPAC name of propan-2-yl 2-benzamido-2-cyclohexylideneacetate (CID 2282473) is propan-2-yl 2-benzamido-2-cyclohexylideneacetate.
What is the SMILES notation for propan-2-yl 2-benzamido-2-cyclohexylideneacetate?
The canonical SMILES for propan-2-yl 2-benzamido-2-cyclohexylideneacetate is CC(C)OC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1.
What is the InChIKey of propan-2-yl 2-benzamido-2-cyclohexylideneacetate?
The InChIKey is AFNRBEUNLSPZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13(2)22-18(21)16(14-9-5-3-6-10-14)19-17(20)15-11-7-4-8-12-15/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3,(H,19,20).
What are the key properties of propan-2-yl 2-benzamido-2-cyclohexylideneacetate?
propan-2-yl 2-benzamido-2-cyclohexylideneacetate has a molecular weight of 301.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-benzamido-2-cyclohexylideneacetate is sourced from PubChem (CID 2282473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).