[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate

C17H21FN2O4 — CID 9460662

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1cccc(F)c1)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H21FN2O4/c18-13-6-4-5-12(9-13)10-16(22)24-11-15(21)20-17(23)19-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11H2,(H2,19,20,21,23)
InChIKeyJNHMKKGUBMEYRS-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.07
Rot. Bonds5

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate (PubChem CID 9460662) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
PubChem CID9460662
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1cccc(F)c1)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H21FN2O4/c18-13-6-4-5-12(9-13)10-16(22)24-11-15(21)20-17(23)19-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11H2,(H2,19,20,21,23)
InChIKeyJNHMKKGUBMEYRS-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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Related Compounds

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589718
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609621
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 3657721
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2520948
[2-(cyclooctylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 35564776
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667447
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate
CID 8851361
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2634322
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795325
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329364
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3-fluorophenyl)acetate
CID 8589815
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8909074

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate (CID 9460662) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate is O=C(COC(=O)Cc1cccc(F)c1)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate?
The InChIKey is JNHMKKGUBMEYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c18-13-6-4-5-12(9-13)10-16(22)24-11-15(21)20-17(23)19-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11H2,(H2,19,20,21,23).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-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-(3-fluorophenyl)acetate is sourced from PubChem (CID 9460662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).