cyclohexyl 2-benzamidoacetate

C15H19NO3 — CID 672410

IUPACcyclohexyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OC1CCCCC1
InChIInChI=1S/C15H19NO3/c17-14(19-13-9-5-2-6-10-13)11-16-15(18)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,18)
InChIKeyZADJYSIFCSHLHC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.29
Rot. Bonds4

About cyclohexyl 2-benzamidoacetate

cyclohexyl 2-benzamidoacetate (PubChem CID 672410) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is cyclohexyl 2-benzamidoacetate.

Molecular Properties

Compound Namecyclohexyl 2-benzamidoacetate
PubChem CID672410
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namecyclohexyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OC1CCCCC1
InChIInChI=1S/C15H19NO3/c17-14(19-13-9-5-2-6-10-13)11-16-15(18)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,18)
InChIKeyZADJYSIFCSHLHC-UHFFFAOYSA-N
XLogP2.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-benzamidoacetate?
The IUPAC name of cyclohexyl 2-benzamidoacetate (CID 672410) is cyclohexyl 2-benzamidoacetate.
What is the SMILES notation for cyclohexyl 2-benzamidoacetate?
The canonical SMILES for cyclohexyl 2-benzamidoacetate is O=C(CNC(=O)c1ccccc1)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-benzamidoacetate?
The InChIKey is ZADJYSIFCSHLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(19-13-9-5-2-6-10-13)11-16-15(18)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,18).
What are the key properties of cyclohexyl 2-benzamidoacetate?
cyclohexyl 2-benzamidoacetate has a molecular weight of 261.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-benzamidoacetate is sourced from PubChem (CID 672410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).