[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate

C21H23NO6 — CID 7887046

IUPAC[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
SMILESCOc1ccc(O)c(C(=O)OCC(=O)N(Cc2ccco2)C2=CCCCC2)c1
InChIInChI=1S/C21H23NO6/c1-26-16-9-10-19(23)18(12-16)21(25)28-14-20(24)22(13-17-8-5-11-27-17)15-6-3-2-4-7-15/h5-6,8-12,23H,2-4,7,13-14H2,1H3
InChIKeyCGWIISBYSYOOCI-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.64
Rot. Bonds7

About [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate

[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate (PubChem CID 7887046) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate.

Molecular Properties

Compound Name[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
PubChem CID7887046
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
SMILESCOc1ccc(O)c(C(=O)OCC(=O)N(Cc2ccco2)C2=CCCCC2)c1
InChIInChI=1S/C21H23NO6/c1-26-16-9-10-19(23)18(12-16)21(25)28-14-20(24)22(13-17-8-5-11-27-17)15-6-3-2-4-7-15/h5-6,8-12,23H,2-4,7,13-14H2,1H3
InChIKeyCGWIISBYSYOOCI-UHFFFAOYSA-N
XLogP3.64
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[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] pyridine-2-carboxylate
CID 7874481
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 7628919
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] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 7488794
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 18193445
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
CID 17454394
[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-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014355
[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 7571527

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate?
The IUPAC name of [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate (CID 7887046) is [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate.
What is the SMILES notation for [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate?
The canonical SMILES for [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate is COc1ccc(O)c(C(=O)OCC(=O)N(Cc2ccco2)C2=CCCCC2)c1.
What is the InChIKey of [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate?
The InChIKey is CGWIISBYSYOOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-26-16-9-10-19(23)18(12-16)21(25)28-14-20(24)22(13-17-8-5-11-27-17)15-6-3-2-4-7-15/h5-6,8-12,23H,2-4,7,13-14H2,1H3.
What are the key properties of [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate?
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate has a molecular weight of 385.42 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 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-hydroxy-5-methoxybenzoate is sourced from PubChem (CID 7887046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).