[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-phenylacetate

C17H22N2O4 — CID 8900354

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H22N2O4/c20-15(19-17(22)18-14-9-5-2-6-10-14)12-23-16(21)11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H2,18,19,20,22)
InChIKeyKZWVHEPWYAPLBR-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.93
Rot. Bonds5

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-phenylacetate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-phenylacetate (PubChem CID 8900354) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
PubChem CID8900354
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H22N2O4/c20-15(19-17(22)18-14-9-5-2-6-10-14)12-23-16(21)11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H2,18,19,20,22)
InChIKeyKZWVHEPWYAPLBR-UHFFFAOYSA-N
XLogP1.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-phenylacetate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-phenylacetate (CID 8900354) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-phenylacetate is O=C(COC(=O)Cc1ccccc1)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-phenylacetate?
The InChIKey is KZWVHEPWYAPLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-15(19-17(22)18-14-9-5-2-6-10-14)12-23-16(21)11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H2,18,19,20,22).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-phenylacetate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-phenylacetate has a molecular weight of 318.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-phenylacetate is sourced from PubChem (CID 8900354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).