(1S,2S,3S,6R,7R,9S)-N-cyclohexyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide

C15H21NO4 — CID 46209716

IUPAC(1S,2S,3S,6R,7R,9S)-N-cyclohexyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
SMILESO=C1O[C@@H]2[C@@H](O)[C@H]3C[C@@H]2[C@@H]1[C@H]3C(=O)NC1CCCCC1
InChIInChI=1S/C15H21NO4/c17-12-8-6-9-11(15(19)20-13(9)12)10(8)14(18)16-7-4-2-1-3-5-7/h7-13,17H,1-6H2,(H,16,18)/t8-,9+,10-,11+,12-,13-/m0/s1
InChIKeyLUNMWMAQMOFUPG-FQIARQCESA-N
MW279.34 g/mol
LogP0.60
Rot. Bonds2

About (1S,2S,3S,6R,7R,9S)-N-cyclohexyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide

(1S,2S,3S,6R,7R,9S)-N-cyclohexyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide (PubChem CID 46209716) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (1S,2S,3S,6R,7R,9S)-N-cyclohexyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide.

Molecular Properties

Compound Name(1S,2S,3S,6R,7R,9S)-N-cyclohexyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
PubChem CID46209716
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(1S,2S,3S,6R,7R,9S)-N-cyclohexyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
SMILESO=C1O[C@@H]2[C@@H](O)[C@H]3C[C@@H]2[C@@H]1[C@H]3C(=O)NC1CCCCC1
InChIInChI=1S/C15H21NO4/c17-12-8-6-9-11(15(19)20-13(9)12)10(8)14(18)16-7-4-2-1-3-5-7/h7-13,17H,1-6H2,(H,16,18)/t8-,9+,10-,11+,12-,13-/m0/s1
InChIKeyLUNMWMAQMOFUPG-FQIARQCESA-N
XLogP0.60
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,2S,3S,6R,7R,9S)-N-cyclohexyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N,N-Diethyl-6-hydroxy-2-oxohexahydro-3,5-methano-2H-cyclopenta(b)furan-7-carboxamide
CID 23274847
N-Ethyl-6-hydroxy-2-oxohexahydro-3,5-methano-2H-cyclopenta(b)furan-7-carboxamide
CID 23424506
N-(Sec-butyl)-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxamide
CID 428432
5-oxo-N-propan-2-yl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 428430
N-cyclohexyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 428434
(9-Hydroxy-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl) acetate
CID 57702226
(1S,2S,3S,6R,7R,9S)-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 21632219
2-Hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 73815752
2-Hydroxy-9-(morpholine-4-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 91901091
N-tert-butyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 91901103
(1R,3R,6S,7R,9R)-5-oxo-N-propan-2-yl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 92261144
(1R,3R,6S,7R,9S)-5-oxo-N-propan-2-yl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 92261145

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,6R,7R,9S)-N-cyclohexyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
The IUPAC name of (1S,2S,3S,6R,7R,9S)-N-cyclohexyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide (CID 46209716) is (1S,2S,3S,6R,7R,9S)-N-cyclohexyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide.
What is the SMILES notation for (1S,2S,3S,6R,7R,9S)-N-cyclohexyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
The canonical SMILES for (1S,2S,3S,6R,7R,9S)-N-cyclohexyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide is O=C1O[C@@H]2[C@@H](O)[C@H]3C[C@@H]2[C@@H]1[C@H]3C(=O)NC1CCCCC1.
What is the InChIKey of (1S,2S,3S,6R,7R,9S)-N-cyclohexyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
The InChIKey is LUNMWMAQMOFUPG-FQIARQCESA-N. The full InChI is InChI=1S/C15H21NO4/c17-12-8-6-9-11(15(19)20-13(9)12)10(8)14(18)16-7-4-2-1-3-5-7/h7-13,17H,1-6H2,(H,16,18)/t8-,9+,10-,11+,12-,13-/m0/s1.
What are the key properties of (1S,2S,3S,6R,7R,9S)-N-cyclohexyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
(1S,2S,3S,6R,7R,9S)-N-cyclohexyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,6R,7R,9S)-N-cyclohexyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide is sourced from PubChem (CID 46209716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).