N-ethyl-N-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide

C11H21NO6 — CID 18649788

IUPACN-ethyl-N-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide
SMILESC=CC(=O)N(CC)C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C11H21NO6/c1-3-9(16)12(4-2)5-7(14)10(17)11(18)8(15)6-13/h3,7-8,10-11,13-15,17-18H,1,4-6H2,2H3/t7-,8+,10+,11-/m0/s1
InChIKeyHSPONFBAKVEIML-URPMGSGRSA-N
MW263.29 g/mol
LogP-2.54
Rot. Bonds8

About N-ethyl-N-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide

N-ethyl-N-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide (PubChem CID 18649788) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-ethyl-N-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide
PubChem CID18649788
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC NameN-ethyl-N-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide
SMILESC=CC(=O)N(CC)C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C11H21NO6/c1-3-9(16)12(4-2)5-7(14)10(17)11(18)8(15)6-13/h3,7-8,10-11,13-15,17-18H,1,4-6H2,2H3/t7-,8+,10+,11-/m0/s1
InChIKeyHSPONFBAKVEIML-URPMGSGRSA-N
XLogP-2.54
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-2.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide?
The IUPAC name of N-ethyl-N-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide (CID 18649788) is N-ethyl-N-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide.
What is the SMILES notation for N-ethyl-N-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide?
The canonical SMILES for N-ethyl-N-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide is C=CC(=O)N(CC)C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of N-ethyl-N-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide?
The InChIKey is HSPONFBAKVEIML-URPMGSGRSA-N. The full InChI is InChI=1S/C11H21NO6/c1-3-9(16)12(4-2)5-7(14)10(17)11(18)8(15)6-13/h3,7-8,10-11,13-15,17-18H,1,4-6H2,2H3/t7-,8+,10+,11-/m0/s1.
What are the key properties of N-ethyl-N-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide?
N-ethyl-N-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide has a molecular weight of 263.29 g/mol, XLogP of -2.54, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide is sourced from PubChem (CID 18649788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).