5-[[(1S,2R,3S,4R)-3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]-N-hydroxy-N-methylpentanamide

C20H35NO5 — CID 54235287

IUPAC5-[[(1S,2R,3S,4R)-3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]-N-hydroxy-N-methylpentanamide
SMILESCN(O)C(=O)CCCCOC[C@H]1[C@@H](COC2CCCCC2)[C@H]2CC[C@@H]1O2
InChIInChI=1S/C20H35NO5/c1-21(23)20(22)9-5-6-12-24-13-16-17(19-11-10-18(16)26-19)14-25-15-7-3-2-4-8-15/h15-19,23H,2-14H2,1H3/t16-,17+,18-,19+/m0/s1
InChIKeyQMCYIHRGWPVFGB-ZSYWTGECSA-N
MW369.50 g/mol
LogP3.16
Rot. Bonds10

About 5-[[(1S,2R,3S,4R)-3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]-N-hydroxy-N-methylpentanamide

5-[[(1S,2R,3S,4R)-3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]-N-hydroxy-N-methylpentanamide (PubChem CID 54235287) has the molecular formula C20H35NO5 and a molecular weight of 369.50 g/mol. Its IUPAC name is 5-[[(1S,2R,3S,4R)-3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]-N-hydroxy-N-methylpentanamide.

Molecular Properties

Compound Name5-[[(1S,2R,3S,4R)-3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]-N-hydroxy-N-methylpentanamide
PubChem CID54235287
Molecular FormulaC20H35NO5
Molecular Weight369.50 g/mol
Exact Mass369.25
IUPAC Name5-[[(1S,2R,3S,4R)-3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]-N-hydroxy-N-methylpentanamide
SMILESCN(O)C(=O)CCCCOC[C@H]1[C@@H](COC2CCCCC2)[C@H]2CC[C@@H]1O2
InChIInChI=1S/C20H35NO5/c1-21(23)20(22)9-5-6-12-24-13-16-17(19-11-10-18(16)26-19)14-25-15-7-3-2-4-8-15/h15-19,23H,2-14H2,1H3/t16-,17+,18-,19+/m0/s1
InChIKeyQMCYIHRGWPVFGB-ZSYWTGECSA-N
XLogP3.16
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(1R,2R,3R,4S)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]-N-hydroxy-N-methylbutanamide
CID 54279485
N-hydroxy-N-methyl-5-[[(1R,2S,3S,4S)-3-(2-phenylsulfanylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]pentanamide
CID 54469164
5-[[(1R,2S,3R,4S)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]pentanoic acid
CID 54542162
5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide
CID 56985983
N-hydroxy-N-methyl-5-[[(1S,2S,3R,4R)-3-(pent-3-enylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]pentanamide
CID 54164656
6-cycloheptyloxyhexan-2-one
CID 61069930
5-[[(1S,2R,3R,4R)-3-(4-oxobutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]pentanoic acid
CID 18599966
(Z)-7-[(1S,2R,3R,4R)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 70454420
(E)-4-[[(1S,2R,3S,4R)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]but-2-enoic acid
CID 18599947
3-cyclohexyloxy-N-ethyl-N-methylpropanamide
CID 67009773
cycloheptyl 6-ethoxyhexanoate
CID 134561724
2-cyclohexyloxy-N,N-dimethylacetamide
CID 89427272

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2R,3S,4R)-3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]-N-hydroxy-N-methylpentanamide?
The IUPAC name of 5-[[(1S,2R,3S,4R)-3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]-N-hydroxy-N-methylpentanamide (CID 54235287) is 5-[[(1S,2R,3S,4R)-3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]-N-hydroxy-N-methylpentanamide.
What is the SMILES notation for 5-[[(1S,2R,3S,4R)-3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]-N-hydroxy-N-methylpentanamide?
The canonical SMILES for 5-[[(1S,2R,3S,4R)-3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]-N-hydroxy-N-methylpentanamide is CN(O)C(=O)CCCCOC[C@H]1[C@@H](COC2CCCCC2)[C@H]2CC[C@@H]1O2.
What is the InChIKey of 5-[[(1S,2R,3S,4R)-3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]-N-hydroxy-N-methylpentanamide?
The InChIKey is QMCYIHRGWPVFGB-ZSYWTGECSA-N. The full InChI is InChI=1S/C20H35NO5/c1-21(23)20(22)9-5-6-12-24-13-16-17(19-11-10-18(16)26-19)14-25-15-7-3-2-4-8-15/h15-19,23H,2-14H2,1H3/t16-,17+,18-,19+/m0/s1.
What are the key properties of 5-[[(1S,2R,3S,4R)-3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]-N-hydroxy-N-methylpentanamide?
5-[[(1S,2R,3S,4R)-3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]-N-hydroxy-N-methylpentanamide has a molecular weight of 369.50 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,2R,3S,4R)-3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]-N-hydroxy-N-methylpentanamide is sourced from PubChem (CID 54235287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).