[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate

C17H21FN2O4 — CID 7759008

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H21FN2O4/c18-13-8-6-12(7-9-13)10-16(22)24-11-15(21)20-17(23)19-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H2,19,20,21,23)
InChIKeyKHJVDOVIAXRBGK-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.07
Rot. Bonds5

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (PubChem CID 7759008) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
PubChem CID7759008
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H21FN2O4/c18-13-8-6-12(7-9-13)10-16(22)24-11-15(21)20-17(23)19-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H2,19,20,21,23)
InChIKeyKHJVDOVIAXRBGK-UHFFFAOYSA-N
XLogP2.07
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.07
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-(4-fluorophenyl)acetate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (CID 7759008) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is O=C(COC(=O)Cc1ccc(F)cc1)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is KHJVDOVIAXRBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c18-13-8-6-12(7-9-13)10-16(22)24-11-15(21)20-17(23)19-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H2,19,20,21,23).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 336.36 g/mol, XLogP of 2.07, 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-(4-fluorophenyl)acetate is sourced from PubChem (CID 7759008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).