[2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate

C17H20N2O4 — CID 4858603

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C17H20N2O4/c18-10-13-6-4-5-9-15(13)22-12-17(21)23-11-16(20)19-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,11-12H2,(H,19,20)
InChIKeyCZZALIXQWYYBCV-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.93
Rot. Bonds6

About [2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate

[2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate (PubChem CID 4858603) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
PubChem CID4858603
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C17H20N2O4/c18-10-13-6-4-5-9-15(13)22-12-17(21)23-11-16(20)19-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,11-12H2,(H,19,20)
InChIKeyCZZALIXQWYYBCV-UHFFFAOYSA-N
XLogP1.93
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenoxy)-N-(propan-2-yl)acetamide
CID 2565339
2-Cyano-N-[(1R,2S)-2-(2-cyano-phenoxy)-1-methyl-2-phenyl-ethyl]-butyramide
CID 44288269
2-Cyano-N-[(1R,2S)-2-(2-cyano-5-fluoro-phenoxy)-1-methyl-2-phenyl-ethyl]-butyramide
CID 44288325
2-Cyano-N-[(1R,2S)-2-(2-cyano-phenoxy)-1-methyl-2-phenyl-ethyl]-3,3-dimethyl-butyramide
CID 44288550
2-Cyano-N-[(1R,2S)-2-(2-cyano-5-fluoro-phenoxy)-1-methyl-2-phenyl-ethyl]-3-methyl-butyramide
CID 44288559
2-Cyano-N-[(1R,2S)-2-(2-cyano-phenoxy)-1-methyl-2-phenyl-ethyl]-3-methyl-butyramide
CID 44288577
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2344647
[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
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide
CID 2977623
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 3681202
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 4384413

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate (CID 4858603) is [2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate is N#Cc1ccccc1OCC(=O)OCC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The InChIKey is CZZALIXQWYYBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c18-10-13-6-4-5-9-15(13)22-12-17(21)23-11-16(20)19-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,11-12H2,(H,19,20).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
[2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate has a molecular weight of 316.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 4858603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).