N-(3-ethenyl-2,4,5,6-tetrahydroxyhexyl)propanamide

C11H21NO5 — CID 123724343

IUPACN-(3-ethenyl-2,4,5,6-tetrahydroxyhexyl)propanamide
SMILESC=CC(C(O)CNC(=O)CC)C(O)C(O)CO
InChIInChI=1S/C11H21NO5/c1-3-7(11(17)9(15)6-13)8(14)5-12-10(16)4-2/h3,7-9,11,13-15,17H,1,4-6H2,2H3,(H,12,16)
InChIKeyJTYYOVCVTVOAOH-UHFFFAOYSA-N
MW247.29 g/mol
LogP-1.61
Rot. Bonds8

About N-(3-ethenyl-2,4,5,6-tetrahydroxyhexyl)propanamide

N-(3-ethenyl-2,4,5,6-tetrahydroxyhexyl)propanamide (PubChem CID 123724343) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(3-ethenyl-2,4,5,6-tetrahydroxyhexyl)propanamide.

Molecular Properties

Compound NameN-(3-ethenyl-2,4,5,6-tetrahydroxyhexyl)propanamide
PubChem CID123724343
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC NameN-(3-ethenyl-2,4,5,6-tetrahydroxyhexyl)propanamide
SMILESC=CC(C(O)CNC(=O)CC)C(O)C(O)CO
InChIInChI=1S/C11H21NO5/c1-3-7(11(17)9(15)6-13)8(14)5-12-10(16)4-2/h3,7-9,11,13-15,17H,1,4-6H2,2H3,(H,12,16)
InChIKeyJTYYOVCVTVOAOH-UHFFFAOYSA-N
XLogP-1.61
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-1.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pent-4-enamide
CID 90195838
N-(2-ethenyl-3,4,5,6-tetrahydroxyhexyl)propanamide
CID 123413276
N-(3-ethenyl-5,6-dihydroxyhexyl)propanamide
CID 123574183
N-(2,4,5,6-tetrahydroxy-3-methylhexyl)propanamide
CID 123850021
N-[(2R,4R)-4-[(1S)-1,2-dihydroxyethyl]-2-methylhex-5-enyl]propanamide
CID 132255297
N-[(3R,5S)-3-ethenyl-5,6-dihydroxyhexyl]propanamide
CID 145541382
N-[(3R,5S)-3-ethenyl-5,6-dihydroxyhexyl]but-3-enamide
CID 163606988
(2R,3S,5R)-4-ethenyl-6-(methylamino)hexane-1,2,3,5-tetrol
CID 167071088
N-[(3R,5S,6R)-4-ethenyl-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 174371513

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenyl-2,4,5,6-tetrahydroxyhexyl)propanamide?
The IUPAC name of N-(3-ethenyl-2,4,5,6-tetrahydroxyhexyl)propanamide (CID 123724343) is N-(3-ethenyl-2,4,5,6-tetrahydroxyhexyl)propanamide.
What is the SMILES notation for N-(3-ethenyl-2,4,5,6-tetrahydroxyhexyl)propanamide?
The canonical SMILES for N-(3-ethenyl-2,4,5,6-tetrahydroxyhexyl)propanamide is C=CC(C(O)CNC(=O)CC)C(O)C(O)CO.
What is the InChIKey of N-(3-ethenyl-2,4,5,6-tetrahydroxyhexyl)propanamide?
The InChIKey is JTYYOVCVTVOAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-3-7(11(17)9(15)6-13)8(14)5-12-10(16)4-2/h3,7-9,11,13-15,17H,1,4-6H2,2H3,(H,12,16).
What are the key properties of N-(3-ethenyl-2,4,5,6-tetrahydroxyhexyl)propanamide?
N-(3-ethenyl-2,4,5,6-tetrahydroxyhexyl)propanamide has a molecular weight of 247.29 g/mol, XLogP of -1.61, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenyl-2,4,5,6-tetrahydroxyhexyl)propanamide is sourced from PubChem (CID 123724343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).