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

C11H21NO6 — CID 14766067

IUPACN,2-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide
SMILESC=C(C)C(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H21NO6/c1-6(2)11(18)12(3)4-7(14)9(16)10(17)8(15)5-13/h7-10,13-17H,1,4-5H2,2-3H3/t7-,8+,9+,10+/m0/s1
InChIKeyQECIERKLBKTOPI-SGIHWFKDSA-N
MW263.29 g/mol
LogP-2.54
Rot. Bonds7

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

N,2-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide (PubChem CID 14766067) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is N,2-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide
PubChem CID14766067
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC NameN,2-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide
SMILESC=C(C)C(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H21NO6/c1-6(2)11(18)12(3)4-7(14)9(16)10(17)8(15)5-13/h7-10,13-17H,1,4-5H2,2-3H3/t7-,8+,9+,10+/m0/s1
InChIKeyQECIERKLBKTOPI-SGIHWFKDSA-N
XLogP-2.54
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
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,2-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide?
The IUPAC name of N,2-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide (CID 14766067) is N,2-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide.
What is the SMILES notation for N,2-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide?
The canonical SMILES for N,2-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide is C=C(C)C(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of N,2-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide?
The InChIKey is QECIERKLBKTOPI-SGIHWFKDSA-N. The full InChI is InChI=1S/C11H21NO6/c1-6(2)11(18)12(3)4-7(14)9(16)10(17)8(15)5-13/h7-10,13-17H,1,4-5H2,2-3H3/t7-,8+,9+,10+/m0/s1.
What are the key properties of N,2-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide?
N,2-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide has a molecular weight of 263.29 g/mol, XLogP of -2.54, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide is sourced from PubChem (CID 14766067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).