[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate

C16H20ClNO3 — CID 3230482

IUPAC[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate
SMILESCC(=O)OC(C(=O)NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO3/c1-11(19)21-15(12-7-9-13(17)10-8-12)16(20)18-14-5-3-2-4-6-14/h7-10,14-15H,2-6H2,1H3,(H,18,20)
InChIKeyQYBWDHCDEAXFEH-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.39
Rot. Bonds4

About [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate

[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate (PubChem CID 3230482) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate
PubChem CID3230482
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate
SMILESCC(=O)OC(C(=O)NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO3/c1-11(19)21-15(12-7-9-13(17)10-8-12)16(20)18-14-5-3-2-4-6-14/h7-10,14-15H,2-6H2,1H3,(H,18,20)
InChIKeyQYBWDHCDEAXFEH-UHFFFAOYSA-N
XLogP3.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate?
The IUPAC name of [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate (CID 3230482) is [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate.
What is the SMILES notation for [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate?
The canonical SMILES for [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate is CC(=O)OC(C(=O)NC1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate?
The InChIKey is QYBWDHCDEAXFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-11(19)21-15(12-7-9-13(17)10-8-12)16(20)18-14-5-3-2-4-6-14/h7-10,14-15H,2-6H2,1H3,(H,18,20).
What are the key properties of [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate?
[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate has a molecular weight of 309.79 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate is sourced from PubChem (CID 3230482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).