[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate

C22H22N2O5 — CID 7628919

IUPAC[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESN#Cc1ccc(OCC(=O)OCC(=O)N(Cc2ccco2)C2=CCCCC2)cc1
InChIInChI=1S/C22H22N2O5/c23-13-17-8-10-19(11-9-17)28-16-22(26)29-15-21(25)24(14-20-7-4-12-27-20)18-5-2-1-3-6-18/h4-5,7-12H,1-3,6,14-16H2
InChIKeyKEQUITLUCQNCSX-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.56
Rot. Bonds8

About [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate

[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate (PubChem CID 7628919) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
PubChem CID7628919
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESN#Cc1ccc(OCC(=O)OCC(=O)N(Cc2ccco2)C2=CCCCC2)cc1
InChIInChI=1S/C22H22N2O5/c23-13-17-8-10-19(11-9-17)28-16-22(26)29-15-21(25)24(14-20-7-4-12-27-20)18-5-2-1-3-6-18/h4-5,7-12H,1-3,6,14-16H2
InChIKeyKEQUITLUCQNCSX-UHFFFAOYSA-N
XLogP3.56
TPSA92.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 7489313
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7489412
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7874481
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7488731
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 7887046
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 7488794
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7627445
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60561758
2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 61036345
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 24557569
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 9139034
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55378785

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The IUPAC name of [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate (CID 7628919) is [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The canonical SMILES for [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate is N#Cc1ccc(OCC(=O)OCC(=O)N(Cc2ccco2)C2=CCCCC2)cc1.
What is the InChIKey of [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The InChIKey is KEQUITLUCQNCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c23-13-17-8-10-19(11-9-17)28-16-22(26)29-15-21(25)24(14-20-7-4-12-27-20)18-5-2-1-3-6-18/h4-5,7-12H,1-3,6,14-16H2.
What are the key properties of [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate has a molecular weight of 394.43 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 7628919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).