[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate

C18H24ClNO3 — CID 4801850

IUPAC[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCC1CCCC(NC(=O)COC(=O)Cc2ccc(Cl)cc2)C1C
InChIInChI=1S/C18H24ClNO3/c1-12-4-3-5-16(13(12)2)20-17(21)11-23-18(22)10-14-6-8-15(19)9-7-14/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,20,21)
InChIKeyQAAZZVJTXRRZBX-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.37
Rot. Bonds5

About [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate

[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 4801850) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID4801850
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCC1CCCC(NC(=O)COC(=O)Cc2ccc(Cl)cc2)C1C
InChIInChI=1S/C18H24ClNO3/c1-12-4-3-5-16(13(12)2)20-17(21)11-23-18(22)10-14-6-8-15(19)9-7-14/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,20,21)
InChIKeyQAAZZVJTXRRZBX-UHFFFAOYSA-N
XLogP3.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 4801850) is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate is CC1CCCC(NC(=O)COC(=O)Cc2ccc(Cl)cc2)C1C.
What is the InChIKey of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is QAAZZVJTXRRZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO3/c1-12-4-3-5-16(13(12)2)20-17(21)11-23-18(22)10-14-6-8-15(19)9-7-14/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,20,21).
What are the key properties of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 337.85 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 4801850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).