(2R)-2-hydroxy-N-methyl-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]undecanamide

C16H33NO6 — CID 172726699

IUPAC(2R)-2-hydroxy-N-methyl-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]undecanamide
SMILESCCCCCCCCC[C@](O)(C(=O)NC)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C16H33NO6/c1-3-4-5-6-7-8-9-10-16(23,15(22)17-2)14(21)13(20)12(19)11-18/h12-14,18-21,23H,3-11H2,1-2H3,(H,17,22)/t12-,13-,14+,16-/m1/s1
InChIKeyHFYUYHJHRWSFCO-HGTKMLMNSA-N
MW335.44 g/mol
LogP-0.32
Rot. Bonds13

About (2R)-2-hydroxy-N-methyl-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]undecanamide

(2R)-2-hydroxy-N-methyl-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]undecanamide (PubChem CID 172726699) has the molecular formula C16H33NO6 and a molecular weight of 335.44 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-methyl-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]undecanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-methyl-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]undecanamide
PubChem CID172726699
Molecular FormulaC16H33NO6
Molecular Weight335.44 g/mol
Exact Mass335.23
IUPAC Name(2R)-2-hydroxy-N-methyl-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]undecanamide
SMILESCCCCCCCCC[C@](O)(C(=O)NC)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C16H33NO6/c1-3-4-5-6-7-8-9-10-16(23,15(22)17-2)14(21)13(20)12(19)11-18/h12-14,18-21,23H,3-11H2,1-2H3,(H,17,22)/t12-,13-,14+,16-/m1/s1
InChIKeyHFYUYHJHRWSFCO-HGTKMLMNSA-N
XLogP-0.32
TPSA130.25 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.44
LogP ≤ 5-0.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]tetracosanoic acid
CID 123720065
(10R)-10-hydroxy-10-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]icosan-9-one
CID 87516327
bis(dodecanoic acid);(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]icosanamide
CID 158980177
2,2-dioctyl-N,N'-bis[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]propanediamide
CID 11331247
3-(1,2-dihydroxyethyl)-3-hydroxynonadecan-2-one
CID 54421569
2-hydroxy-3-oxo-2-(1,2,3,4-tetrahydroxybutyl)tetradecanoic acid
CID 174513218
(5S)-5-bromo-1,2,3,4,5-pentahydroxyundecan-6-one
CID 174304395
hexane;hexane-1,2,3,4,5,6-hexol
CID 88787528
N,2,2-trimethyloctadecanamide
CID 158817445
4,4-dihexyltridecane-1,2,3-triol
CID 87647461
2,2-diethyl-N-methylhexadecanamide
CID 158971138
2,3,4,5-tetrahydroxy-2-pentadecylhexanediamide
CID 142553524

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-methyl-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]undecanamide?
The IUPAC name of (2R)-2-hydroxy-N-methyl-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]undecanamide (CID 172726699) is (2R)-2-hydroxy-N-methyl-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]undecanamide.
What is the SMILES notation for (2R)-2-hydroxy-N-methyl-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]undecanamide?
The canonical SMILES for (2R)-2-hydroxy-N-methyl-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]undecanamide is CCCCCCCCC[C@](O)(C(=O)NC)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R)-2-hydroxy-N-methyl-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]undecanamide?
The InChIKey is HFYUYHJHRWSFCO-HGTKMLMNSA-N. The full InChI is InChI=1S/C16H33NO6/c1-3-4-5-6-7-8-9-10-16(23,15(22)17-2)14(21)13(20)12(19)11-18/h12-14,18-21,23H,3-11H2,1-2H3,(H,17,22)/t12-,13-,14+,16-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-methyl-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]undecanamide?
(2R)-2-hydroxy-N-methyl-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]undecanamide has a molecular weight of 335.44 g/mol, XLogP of -0.32, 13 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-methyl-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]undecanamide is sourced from PubChem (CID 172726699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).