[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate

C18H24FNO4 — CID 4626279

IUPAC[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
SMILESCC1CCCC(NC(=O)COC(=O)COc2cccc(F)c2)C1C
InChIInChI=1S/C18H24FNO4/c1-12-5-3-8-16(13(12)2)20-17(21)10-24-18(22)11-23-15-7-4-6-14(19)9-15/h4,6-7,9,12-13,16H,3,5,8,10-11H2,1-2H3,(H,20,21)
InChIKeyMYTFZZYVMYXAQS-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.69
Rot. Bonds6

About [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate

[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate (PubChem CID 4626279) has the molecular formula C18H24FNO4 and a molecular weight of 337.39 g/mol. Its IUPAC name is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
PubChem CID4626279
Molecular FormulaC18H24FNO4
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
SMILESCC1CCCC(NC(=O)COC(=O)COc2cccc(F)c2)C1C
InChIInChI=1S/C18H24FNO4/c1-12-5-3-8-16(13(12)2)20-17(21)10-24-18(22)11-23-15-7-4-6-14(19)9-15/h4,6-7,9,12-13,16H,3,5,8,10-11H2,1-2H3,(H,20,21)
InChIKeyMYTFZZYVMYXAQS-UHFFFAOYSA-N
XLogP2.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2344647
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506754
[2-(Cyclopentylamino)-2-oxoethyl] 2-phenoxyacetate
CID 2507035
[2-(Cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 2595950
[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
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 5023013
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6140233
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6182229
2-(Benzylamino)-2-oxoethyl phenoxyacetate
CID 2122413

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate (CID 4626279) is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate.
What is the SMILES notation for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The canonical SMILES for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate is CC1CCCC(NC(=O)COC(=O)COc2cccc(F)c2)C1C.
What is the InChIKey of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The InChIKey is MYTFZZYVMYXAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO4/c1-12-5-3-8-16(13(12)2)20-17(21)10-24-18(22)11-23-15-7-4-6-14(19)9-15/h4,6-7,9,12-13,16H,3,5,8,10-11H2,1-2H3,(H,20,21).
What are the key properties of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate has a molecular weight of 337.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate is sourced from PubChem (CID 4626279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).