[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate

C17H22FNO4 — CID 2382552

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(F)c1)NCC1CCCCC1
InChIInChI=1S/C17H22FNO4/c18-14-7-4-8-15(9-14)22-12-17(21)23-11-16(20)19-10-13-5-2-1-3-6-13/h4,7-9,13H,1-3,5-6,10-12H2,(H,19,20)
InChIKeyOFJSTNBHEUWQGF-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.44
Rot. Bonds7

About [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate

[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate (PubChem CID 2382552) has the molecular formula C17H22FNO4 and a molecular weight of 323.36 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
PubChem CID2382552
Molecular FormulaC17H22FNO4
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(F)c1)NCC1CCCCC1
InChIInChI=1S/C17H22FNO4/c18-14-7-4-8-15(9-14)22-12-17(21)23-11-16(20)19-10-13-5-2-1-3-6-13/h4,7-9,13H,1-3,5-6,10-12H2,(H,19,20)
InChIKeyOFJSTNBHEUWQGF-UHFFFAOYSA-N
XLogP2.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluorophenoxy)acetate
CID 2369928
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583275
2-(3-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106121345
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-fluorobenzoate
CID 8612564
2-(3-fluorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280490
N-(3-cyclopentylpropyl)-2-(3-fluorophenoxy)acetamide
CID 55572986
(2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate
CID 8915415
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate
CID 7803969
2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide
CID 131915595
[2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 23855950
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317909
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate
CID 55319435

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate (CID 2382552) is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate is O=C(COC(=O)COc1cccc(F)c1)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The InChIKey is OFJSTNBHEUWQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO4/c18-14-7-4-8-15(9-14)22-12-17(21)23-11-16(20)19-10-13-5-2-1-3-6-13/h4,7-9,13H,1-3,5-6,10-12H2,(H,19,20).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate has a molecular weight of 323.36 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate is sourced from PubChem (CID 2382552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).