[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate

C17H22FNO4 — CID 7791504

IUPAC[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
SMILESCC1CCC(NC(=O)COC(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FNO4/c1-12-2-6-14(7-3-12)19-16(20)10-23-17(21)11-22-15-8-4-13(18)5-9-15/h4-5,8-9,12,14H,2-3,6-7,10-11H2,1H3,(H,19,20)
InChIKeyZFIPCKFPNCSLTP-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.44
Rot. Bonds6

About [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate (PubChem CID 7791504) has the molecular formula C17H22FNO4 and a molecular weight of 323.36 g/mol. Its IUPAC name is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
PubChem CID7791504
Molecular FormulaC17H22FNO4
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
SMILESCC1CCC(NC(=O)COC(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FNO4/c1-12-2-6-14(7-3-12)19-16(20)10-23-17(21)11-22-15-8-4-13(18)5-9-15/h4-5,8-9,12,14H,2-3,6-7,10-11H2,1H3,(H,19,20)
InChIKeyZFIPCKFPNCSLTP-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

[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791687
2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 16796047
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855189
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791448
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 7149623
N-(1-acetylpiperidin-4-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 55553899
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788243
[2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 23884530
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791750
2-(3-aminophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 54916003
[2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147385

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate (CID 7791504) is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The canonical SMILES for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate is CC1CCC(NC(=O)COC(=O)COc2ccc(F)cc2)CC1.
What is the InChIKey of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The InChIKey is ZFIPCKFPNCSLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO4/c1-12-2-6-14(7-3-12)19-16(20)10-23-17(21)11-22-15-8-4-13(18)5-9-15/h4-5,8-9,12,14H,2-3,6-7,10-11H2,1H3,(H,19,20).
What are the key properties of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-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-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate is sourced from PubChem (CID 7791504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).