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

C18H24ClNO4 — CID 5023013

IUPAC[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESCC1CCCC(NC(=O)COC(=O)COc2ccccc2Cl)C1C
InChIInChI=1S/C18H24ClNO4/c1-12-6-5-8-15(13(12)2)20-17(21)10-24-18(22)11-23-16-9-4-3-7-14(16)19/h3-4,7,9,12-13,15H,5-6,8,10-11H2,1-2H3,(H,20,21)
InChIKeyGZWISLYFTFITLQ-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.20
Rot. Bonds6

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

[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate (PubChem CID 5023013) has the molecular formula C18H24ClNO4 and a molecular weight of 353.85 g/mol. Its IUPAC name is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
PubChem CID5023013
Molecular FormulaC18H24ClNO4
Molecular Weight353.85 g/mol
Exact Mass353.14
IUPAC Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESCC1CCCC(NC(=O)COC(=O)COc2ccccc2Cl)C1C
InChIInChI=1S/C18H24ClNO4/c1-12-6-5-8-15(13(12)2)20-17(21)10-24-18(22)11-23-16-9-4-3-7-14(16)19/h3-4,7,9,12-13,15H,5-6,8,10-11H2,1-2H3,(H,20,21)
InChIKeyGZWISLYFTFITLQ-UHFFFAOYSA-N
XLogP3.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 4242947
2-(2-chlorophenoxy)-N-[2-(1-cyclohexen-1-yl)ethyl]acetamide
CID 833323
2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide
CID 2218265
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 4355323
2-(2-chlorophenoxy)-N-{[1-(morpholin-4-yl)cyclohexyl]methyl}acetamide
CID 16015362
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 2119737
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 3319126
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 4626279
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 5218824
[2-(Cycloheptylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3476819
2-(Cyclopentylamino)-2-oxoethyl (2,4-dichlorophenoxy)acetate
CID 3987255

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate (CID 5023013) is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate is CC1CCCC(NC(=O)COC(=O)COc2ccccc2Cl)C1C.
What is the InChIKey of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The InChIKey is GZWISLYFTFITLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO4/c1-12-6-5-8-15(13(12)2)20-17(21)10-24-18(22)11-23-16-9-4-3-7-14(16)19/h3-4,7,9,12-13,15H,5-6,8,10-11H2,1-2H3,(H,20,21).
What are the key properties of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate has a molecular weight of 353.85 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 5023013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).