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

C18H22N2O4 — CID 9317909

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)NCC1CCCCC1
InChIInChI=1S/C18H22N2O4/c19-10-15-8-4-5-9-16(15)23-13-18(22)24-12-17(21)20-11-14-6-2-1-3-7-14/h4-5,8-9,14H,1-3,6-7,11-13H2,(H,20,21)
InChIKeyLKCZHWBJTNDSDE-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.18
Rot. Bonds7

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

[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate (PubChem CID 9317909) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
PubChem CID9317909
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)NCC1CCCCC1
InChIInChI=1S/C18H22N2O4/c19-10-15-8-4-5-9-16(15)23-13-18(22)24-12-17(21)20-11-14-6-2-1-3-7-14/h4-5,8-9,14H,1-3,6-7,11-13H2,(H,20,21)
InChIKeyLKCZHWBJTNDSDE-UHFFFAOYSA-N
XLogP2.18
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(2-cyanophenoxy)acetate
CID 2372728
2-(2-cyanophenoxy)-N-(2-cyclopentylethyl)acetamide
CID 60731847
2-(2-aminophenoxy)-N-(cyclohexylmethyl)acetamide
CID 43371365
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318201
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583275
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-cyanophenoxy)acetate
CID 9275268
2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
CID 113223270
2-(2-cyanophenoxy)-N-[(2-methylcyclopropyl)methyl]acetamide
CID 47189935
N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate
CID 55319435
N-(cyclohexylmethyl)-2-naphthalen-1-yloxyacetamide
CID 2504525
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate (CID 9317909) is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate is N#Cc1ccccc1OCC(=O)OCC(=O)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The InChIKey is LKCZHWBJTNDSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c19-10-15-8-4-5-9-16(15)23-13-18(22)24-12-17(21)20-11-14-6-2-1-3-7-14/h4-5,8-9,14H,1-3,6-7,11-13H2,(H,20,21).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate has a molecular weight of 330.38 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 9317909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).