cyclohexyl 4-[(2-phenylacetyl)amino]benzoate

C21H23NO3 — CID 682571

IUPACcyclohexyl 4-[(2-phenylacetyl)amino]benzoate
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C21H23NO3/c23-20(15-16-7-3-1-4-8-16)22-18-13-11-17(12-14-18)21(24)25-19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2,(H,22,23)
InChIKeyXHIANXTZRXDSLD-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.36
Rot. Bonds5

About cyclohexyl 4-[(2-phenylacetyl)amino]benzoate

cyclohexyl 4-[(2-phenylacetyl)amino]benzoate (PubChem CID 682571) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is cyclohexyl 4-[(2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Namecyclohexyl 4-[(2-phenylacetyl)amino]benzoate
PubChem CID682571
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Namecyclohexyl 4-[(2-phenylacetyl)amino]benzoate
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C21H23NO3/c23-20(15-16-7-3-1-4-8-16)22-18-13-11-17(12-14-18)21(24)25-19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2,(H,22,23)
InChIKeyXHIANXTZRXDSLD-UHFFFAOYSA-N
XLogP4.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl 4-[(2-aminoacetyl)amino]benzoate
CID 110459441
cyclohexyl 4-(3-methylbutanoylamino)benzoate
CID 17128664
cyclododecyl 4-acetamidobenzoate
CID 3973983
cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate
CID 17128736
cyclohexyl 4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19175163
cyclohexyl 4-(dimethylcarbamoylamino)benzoate
CID 110443782
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
CID 17128630
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 2788654
cycloheptyl 4-(2-hydroxyethylamino)benzoate
CID 61304114
cyclohexyl 4-(pyridine-4-carbonylamino)benzoate
CID 719338

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-[(2-phenylacetyl)amino]benzoate?
The IUPAC name of cyclohexyl 4-[(2-phenylacetyl)amino]benzoate (CID 682571) is cyclohexyl 4-[(2-phenylacetyl)amino]benzoate.
What is the SMILES notation for cyclohexyl 4-[(2-phenylacetyl)amino]benzoate?
The canonical SMILES for cyclohexyl 4-[(2-phenylacetyl)amino]benzoate is O=C(Cc1ccccc1)Nc1ccc(C(=O)OC2CCCCC2)cc1.
What is the InChIKey of cyclohexyl 4-[(2-phenylacetyl)amino]benzoate?
The InChIKey is XHIANXTZRXDSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-20(15-16-7-3-1-4-8-16)22-18-13-11-17(12-14-18)21(24)25-19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2,(H,22,23).
What are the key properties of cyclohexyl 4-[(2-phenylacetyl)amino]benzoate?
cyclohexyl 4-[(2-phenylacetyl)amino]benzoate has a molecular weight of 337.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-[(2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 682571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).