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

C19H24N2O4 — CID 3392883

IUPAC[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESCC1CCCC(NC(=O)COC(=O)COc2ccc(C#N)cc2)C1C
InChIInChI=1S/C19H24N2O4/c1-13-4-3-5-17(14(13)2)21-18(22)11-25-19(23)12-24-16-8-6-15(10-20)7-9-16/h6-9,13-14,17H,3-5,11-12H2,1-2H3,(H,21,22)
InChIKeyAUBMZDATDBAYQC-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.42
Rot. Bonds6

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

[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate (PubChem CID 3392883) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
PubChem CID3392883
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESCC1CCCC(NC(=O)COC(=O)COc2ccc(C#N)cc2)C1C
InChIInChI=1S/C19H24N2O4/c1-13-4-3-5-17(14(13)2)21-18(22)11-25-19(23)12-24-16-8-6-15(10-20)7-9-16/h6-9,13-14,17H,3-5,11-12H2,1-2H3,(H,21,22)
InChIKeyAUBMZDATDBAYQC-UHFFFAOYSA-N
XLogP2.42
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate with MolForge

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Related Compounds

2-(4-ethylphenoxy)-N-(2-phenylethyl)acetamide
CID 673837
2-Cyano-N-[(1R,2S)-2-(2-cyano-phenoxy)-1-methyl-2-phenyl-ethyl]-3-methyl-butyramide
CID 44288577
N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide
CID 798624
[2-(cyclopropylamino)-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 2407203
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506754
[2-(Cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556394
[2-(Cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 2595950
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 3681202
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 4093242
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 4384413
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 4800874
2-(Cyclohexylamino)-2-oxoethyl 2-(2-cyanophenoxy)acetate
CID 4858603

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate (CID 3392883) is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The canonical SMILES for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate is CC1CCCC(NC(=O)COC(=O)COc2ccc(C#N)cc2)C1C.
What is the InChIKey of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The InChIKey is AUBMZDATDBAYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-4-3-5-17(14(13)2)21-18(22)11-25-19(23)12-24-16-8-6-15(10-20)7-9-16/h6-9,13-14,17H,3-5,11-12H2,1-2H3,(H,21,22).
What are the key properties of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate has a molecular weight of 344.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 3392883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).