N-hydroxy-5-[[3-(2-propoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]hexanamide

C18H33NO5 — CID 57063471

IUPACN-hydroxy-5-[[3-(2-propoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]hexanamide
SMILESCCCOCCC1C2CCC(O2)C1COC(C)CCCC(=O)NO
InChIInChI=1S/C18H33NO5/c1-3-10-22-11-9-14-15(17-8-7-16(14)24-17)12-23-13(2)5-4-6-18(20)19-21/h13-17,21H,3-12H2,1-2H3,(H,19,20)
InChIKeyJAFDOPSNTRPOPC-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.68
Rot. Bonds12

About N-hydroxy-5-[[3-(2-propoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]hexanamide

N-hydroxy-5-[[3-(2-propoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]hexanamide (PubChem CID 57063471) has the molecular formula C18H33NO5 and a molecular weight of 343.46 g/mol. Its IUPAC name is N-hydroxy-5-[[3-(2-propoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]hexanamide.

Molecular Properties

Compound NameN-hydroxy-5-[[3-(2-propoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]hexanamide
PubChem CID57063471
Molecular FormulaC18H33NO5
Molecular Weight343.46 g/mol
Exact Mass343.24
IUPAC NameN-hydroxy-5-[[3-(2-propoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]hexanamide
SMILESCCCOCCC1C2CCC(O2)C1COC(C)CCCC(=O)NO
InChIInChI=1S/C18H33NO5/c1-3-10-22-11-9-14-15(17-8-7-16(14)24-17)12-23-13(2)5-4-6-18(20)19-21/h13-17,21H,3-12H2,1-2H3,(H,19,20)
InChIKeyJAFDOPSNTRPOPC-UHFFFAOYSA-N
XLogP2.68
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.68
H-Bond Donors ≤ 52
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

N-hydroxy-5-[[3-(2-phenylsulfanylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]hexanamide
CID 57004128
5-[[3-(2-hexoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide
CID 57300134
4-[2-[3-(2-hexylsulfanylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]-N-hydroxypentanamide
CID 57163782
N-hydroxy-4-[2-[3-(phenylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]pentanamide
CID 57207005
5-[2-[3-(hexylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethylsulfanyl]-N-hydroxyhexanamide
CID 57300998
5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide
CID 56985983
4-[2-[(1R,2R,3R,4S)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]-N-hydroxy-N-methylbutanamide
CID 54279485
(Z)-7-[(1S,2S,3R,4R)-3-(2-hexoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-N-hydroxy-2,2-dimethylhept-5-enamide
CID 88661269
(E)-4-[2-[(1S,2S,3R,4R)-3-(2-hexoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]but-2-enoic acid
CID 70478357
4-[2-[(1S,2S,3R,4R)-3-(2-hydroxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]butanoic acid
CID 67903612
(4R)-4-[2-[(1R,2R,3S)-3-[2-(cyclopropylmethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethylsulfanyl]pentanoic acid
CID 54374697
3-[2-[(1S,2S,3R,4R)-3-(3-hydroxy-4,4-dimethyloct-1-enyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]propanoic acid
CID 54253501

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[[3-(2-propoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]hexanamide?
The IUPAC name of N-hydroxy-5-[[3-(2-propoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]hexanamide (CID 57063471) is N-hydroxy-5-[[3-(2-propoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]hexanamide.
What is the SMILES notation for N-hydroxy-5-[[3-(2-propoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]hexanamide?
The canonical SMILES for N-hydroxy-5-[[3-(2-propoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]hexanamide is CCCOCCC1C2CCC(O2)C1COC(C)CCCC(=O)NO.
What is the InChIKey of N-hydroxy-5-[[3-(2-propoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]hexanamide?
The InChIKey is JAFDOPSNTRPOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO5/c1-3-10-22-11-9-14-15(17-8-7-16(14)24-17)12-23-13(2)5-4-6-18(20)19-21/h13-17,21H,3-12H2,1-2H3,(H,19,20).
What are the key properties of N-hydroxy-5-[[3-(2-propoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]hexanamide?
N-hydroxy-5-[[3-(2-propoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]hexanamide has a molecular weight of 343.46 g/mol, XLogP of 2.68, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[[3-(2-propoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]hexanamide is sourced from PubChem (CID 57063471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).