[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

C18H23FN2O4 — CID 16533888

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCN(C(=O)COC(=O)CNC(=O)c1ccccc1F)C1CCCCC1
InChIInChI=1S/C18H23FN2O4/c1-21(13-7-3-2-4-8-13)16(22)12-25-17(23)11-20-18(24)14-9-5-6-10-15(14)19/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,20,24)
InChIKeyHMKMDNHDWXQAIK-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.89
Rot. Bonds6

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 16533888) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID16533888
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCN(C(=O)COC(=O)CNC(=O)c1ccccc1F)C1CCCCC1
InChIInChI=1S/C18H23FN2O4/c1-21(13-7-3-2-4-8-13)16(22)12-25-17(23)11-20-18(24)14-9-5-6-10-15(14)19/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,20,24)
InChIKeyHMKMDNHDWXQAIK-UHFFFAOYSA-N
XLogP1.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 16533888) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is CN(C(=O)COC(=O)CNC(=O)c1ccccc1F)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is HMKMDNHDWXQAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4/c1-21(13-7-3-2-4-8-13)16(22)12-25-17(23)11-20-18(24)14-9-5-6-10-15(14)19/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,20,24).
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 350.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 16533888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).