[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate

C23H29NO5 — CID 7488794

IUPAC[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
SMILESO=C(OCC(=O)N(Cc1ccco1)C1=CCCCC1)C1C[C@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C23H29NO5/c25-21(24(14-20-10-5-11-28-20)19-8-2-1-3-9-19)15-29-23(27)18-12-16-6-4-7-17(13-18)22(16)26/h5,8,10-11,16-18H,1-4,6-7,9,12-15H2/t16-,17+,18?
InChIKeyAWVNQGSCDJFPJX-JWTNVVGKSA-N
MW399.49 g/mol
LogP4.00
Rot. Bonds6

About [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate

[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate (PubChem CID 7488794) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
PubChem CID7488794
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
SMILESO=C(OCC(=O)N(Cc1ccco1)C1=CCCCC1)C1C[C@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C23H29NO5/c25-21(24(14-20-10-5-11-28-20)19-8-2-1-3-9-19)15-29-23(27)18-12-16-6-4-7-17(13-18)22(16)26/h5,8,10-11,16-18H,1-4,6-7,9,12-15H2/t16-,17+,18?
InChIKeyAWVNQGSCDJFPJX-JWTNVVGKSA-N
XLogP4.00
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[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] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7489412
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (1R,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 50937596
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7627445
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 46607280
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7886306
[2-(N-cyclohexylanilino)-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 7187028
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60561758
2-(4-cyano-2-methoxyphenoxy)-N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 7489313

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate?
The IUPAC name of [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate (CID 7488794) is [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate.
What is the SMILES notation for [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate?
The canonical SMILES for [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate is O=C(OCC(=O)N(Cc1ccco1)C1=CCCCC1)C1C[C@H]2CCC[C@@H](C1)C2=O.
What is the InChIKey of [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate?
The InChIKey is AWVNQGSCDJFPJX-JWTNVVGKSA-N. The full InChI is InChI=1S/C23H29NO5/c25-21(24(14-20-10-5-11-28-20)19-8-2-1-3-9-19)15-29-23(27)18-12-16-6-4-7-17(13-18)22(16)26/h5,8,10-11,16-18H,1-4,6-7,9,12-15H2/t16-,17+,18?.
What are the key properties of [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate?
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate has a molecular weight of 399.49 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate is sourced from PubChem (CID 7488794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).