[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate

C18H23FN2O4 — CID 3369615

IUPAC[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESCC1CCCCC1NC(=O)COC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C18H23FN2O4/c1-12-5-2-3-8-15(12)21-16(22)11-25-17(23)10-20-18(24)13-6-4-7-14(19)9-13/h4,6-7,9,12,15H,2-3,5,8,10-11H2,1H3,(H,20,24)(H,21,22)
InChIKeyXDCXZYVZIJNBHA-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.79
Rot. Bonds6

About [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate

[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate (PubChem CID 3369615) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
PubChem CID3369615
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESCC1CCCCC1NC(=O)COC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C18H23FN2O4/c1-12-5-2-3-8-15(12)21-16(22)11-25-17(23)10-20-18(24)13-6-4-7-14(19)9-13/h4,6-7,9,12,15H,2-3,5,8,10-11H2,1H3,(H,20,24)(H,21,22)
InChIKeyXDCXZYVZIJNBHA-UHFFFAOYSA-N
XLogP1.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate (CID 3369615) is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate is CC1CCCCC1NC(=O)COC(=O)CNC(=O)c1cccc(F)c1.
What is the InChIKey of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The InChIKey is XDCXZYVZIJNBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4/c1-12-5-2-3-8-15(12)21-16(22)11-25-17(23)10-20-18(24)13-6-4-7-14(19)9-13/h4,6-7,9,12,15H,2-3,5,8,10-11H2,1H3,(H,20,24)(H,21,22).
What are the key properties of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate has a molecular weight of 350.39 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 3369615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).