(2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2S,4S)-2-hydroxy-2,4-dimethylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide

C17H30N2O5 — CID 102068734

IUPAC(2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2S,4S)-2-hydroxy-2,4-dimethylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide
SMILESC[C@H]1C[C@@H](/C=C/O[C@@H](C(=O)N(C)C)[C@@H](O)C(=O)N(C)C)[C@@](C)(O)C1
InChIInChI=1S/C17H30N2O5/c1-11-9-12(17(2,23)10-11)7-8-24-14(16(22)19(5)6)13(20)15(21)18(3)4/h7-8,11-14,20,23H,9-10H2,1-6H3/b8-7+/t11-,12+,13+,14+,17-/m0/s1
InChIKeyLWTZFZKDFPFUSW-MOSVCELLSA-N
MW342.44 g/mol
LogP0.22
Rot. Bonds6

About (2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2S,4S)-2-hydroxy-2,4-dimethylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide

(2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2S,4S)-2-hydroxy-2,4-dimethylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide (PubChem CID 102068734) has the molecular formula C17H30N2O5 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2S,4S)-2-hydroxy-2,4-dimethylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide.

Molecular Properties

Compound Name(2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2S,4S)-2-hydroxy-2,4-dimethylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide
PubChem CID102068734
Molecular FormulaC17H30N2O5
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC Name(2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2S,4S)-2-hydroxy-2,4-dimethylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide
SMILESC[C@H]1C[C@@H](/C=C/O[C@@H](C(=O)N(C)C)[C@@H](O)C(=O)N(C)C)[C@@](C)(O)C1
InChIInChI=1S/C17H30N2O5/c1-11-9-12(17(2,23)10-11)7-8-24-14(16(22)19(5)6)13(20)15(21)18(3)4/h7-8,11-14,20,23H,9-10H2,1-6H3/b8-7+/t11-,12+,13+,14+,17-/m0/s1
InChIKeyLWTZFZKDFPFUSW-MOSVCELLSA-N
XLogP0.22
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2S,4S)-2-hydroxy-2,4-dimethylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide with MolForge

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Related Compounds

(2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2R)-2-hydroxy-2-propan-2-ylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide
CID 102068731
2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane
CID 74892775
(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol
CID 58944578
(2R)-2-hydroxy-N,N-dimethyl-2-(1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 70252297
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
CID 67074228
[(1S,5S)-3,3,5-trimethylcyclohexyl] (2S)-2-hydroxypropanoate
CID 76962172
phenyl 1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane-1-carboxylate
CID 20622009
N,N,3,3-tetramethylcyclobutane-1-carboxamide
CID 45123501
1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide
CID 158969228
(2S,4S,6R)-2-[(1S)-1-hydroxyethyl]-2,4,6-trimethylcyclohexan-1-one
CID 130930693
(Z)-3-(2,2-dimethylcyclopropyl)prop-2-enoic acid
CID 154493247
(1R)-2,2-dichloro-1-methyl-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide
CID 6571789

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2S,4S)-2-hydroxy-2,4-dimethylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide?
The IUPAC name of (2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2S,4S)-2-hydroxy-2,4-dimethylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide (CID 102068734) is (2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2S,4S)-2-hydroxy-2,4-dimethylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide.
What is the SMILES notation for (2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2S,4S)-2-hydroxy-2,4-dimethylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide?
The canonical SMILES for (2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2S,4S)-2-hydroxy-2,4-dimethylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide is C[C@H]1C[C@@H](/C=C/O[C@@H](C(=O)N(C)C)[C@@H](O)C(=O)N(C)C)[C@@](C)(O)C1.
What is the InChIKey of (2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2S,4S)-2-hydroxy-2,4-dimethylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide?
The InChIKey is LWTZFZKDFPFUSW-MOSVCELLSA-N. The full InChI is InChI=1S/C17H30N2O5/c1-11-9-12(17(2,23)10-11)7-8-24-14(16(22)19(5)6)13(20)15(21)18(3)4/h7-8,11-14,20,23H,9-10H2,1-6H3/b8-7+/t11-,12+,13+,14+,17-/m0/s1.
What are the key properties of (2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2S,4S)-2-hydroxy-2,4-dimethylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide?
(2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2S,4S)-2-hydroxy-2,4-dimethylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide has a molecular weight of 342.44 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2S,4S)-2-hydroxy-2,4-dimethylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide is sourced from PubChem (CID 102068734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).