[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate

C17H22FNO4 — CID 3319126

IUPAC[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESCC1CCCCC1NC(=O)COC(=O)COc1ccccc1F
InChIInChI=1S/C17H22FNO4/c1-12-6-2-4-8-14(12)19-16(20)10-23-17(21)11-22-15-9-5-3-7-13(15)18/h3,5,7,9,12,14H,2,4,6,8,10-11H2,1H3,(H,19,20)
InChIKeyAOBVYACAJKYSJB-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.44
Rot. Bonds6

About [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate

[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 3319126) has the molecular formula C17H22FNO4 and a molecular weight of 323.36 g/mol. Its IUPAC name is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
PubChem CID3319126
Molecular FormulaC17H22FNO4
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESCC1CCCCC1NC(=O)COC(=O)COc1ccccc1F
InChIInChI=1S/C17H22FNO4/c1-12-6-2-4-8-14(12)19-16(20)10-23-17(21)11-22-15-9-5-3-7-13(15)18/h3,5,7,9,12,14H,2,4,6,8,10-11H2,1H3,(H,19,20)
InChIKeyAOBVYACAJKYSJB-UHFFFAOYSA-N
XLogP2.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-phenoxyacetamide
CID 832666
2-(4-ethylphenoxy)-N-(2-phenylethyl)acetamide
CID 673837
2-(2-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 868068
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2344647
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 2402432
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506754
[2-(Cyclopentylamino)-2-oxoethyl] 2-phenoxyacetate
CID 2507035
[2-(Cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556394
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 4093242
[1-(Cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4216860
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 4242947
2-(Cyclohexylamino)-2-oxoethyl 2-(2-cyanophenoxy)acetate
CID 4858603

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate (CID 3319126) is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate is CC1CCCCC1NC(=O)COC(=O)COc1ccccc1F.
What is the InChIKey of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is AOBVYACAJKYSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO4/c1-12-6-2-4-8-14(12)19-16(20)10-23-17(21)11-22-15-9-5-3-7-13(15)18/h3,5,7,9,12,14H,2,4,6,8,10-11H2,1H3,(H,19,20).
What are the key properties of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate has a molecular weight of 323.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 3319126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).