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

C17H22N2O5 — CID 2634327

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H22N2O5/c1-23-14-10-6-5-9-13(14)16(21)24-11-15(20)19-17(22)18-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H2,18,19,20,22)
InChIKeyZFGOZPHNCWXPIB-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.01
Rot. Bonds5

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

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate (PubChem CID 2634327) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
PubChem CID2634327
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H22N2O5/c1-23-14-10-6-5-9-13(14)16(21)24-11-15(20)19-17(22)18-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H2,18,19,20,22)
InChIKeyZFGOZPHNCWXPIB-UHFFFAOYSA-N
XLogP2.01
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate (CID 2634327) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate is COc1ccccc1C(=O)OCC(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate?
The InChIKey is ZFGOZPHNCWXPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-23-14-10-6-5-9-13(14)16(21)24-11-15(20)19-17(22)18-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H2,18,19,20,22).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate has a molecular weight of 334.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate is sourced from PubChem (CID 2634327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).