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

C18H32N2O5 — CID 102068731

IUPAC(2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2R)-2-hydroxy-2-propan-2-ylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide
SMILESCC(C)[C@]1(O)CCC[C@H]1/C=C/O[C@@H](C(=O)N(C)C)[C@@H](O)C(=O)N(C)C
InChIInChI=1S/C18H32N2O5/c1-12(2)18(24)10-7-8-13(18)9-11-25-15(17(23)20(5)6)14(21)16(22)19(3)4/h9,11-15,21,24H,7-8,10H2,1-6H3/b11-9+/t13-,14+,15+,18+/m0/s1
InChIKeyCNVWXQTYAUKQTI-CJGCASAQSA-N
MW356.46 g/mol
LogP0.61
Rot. Bonds7

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

(2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2R)-2-hydroxy-2-propan-2-ylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide (PubChem CID 102068731) has the molecular formula C18H32N2O5 and a molecular weight of 356.46 g/mol. Its IUPAC name is (2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2R)-2-hydroxy-2-propan-2-ylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide.

Molecular Properties

Compound Name(2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2R)-2-hydroxy-2-propan-2-ylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide
PubChem CID102068731
Molecular FormulaC18H32N2O5
Molecular Weight356.46 g/mol
Exact Mass356.23
IUPAC Name(2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2R)-2-hydroxy-2-propan-2-ylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide
SMILESCC(C)[C@]1(O)CCC[C@H]1/C=C/O[C@@H](C(=O)N(C)C)[C@@H](O)C(=O)N(C)C
InChIInChI=1S/C18H32N2O5/c1-12(2)18(24)10-7-8-13(18)9-11-25-15(17(23)20(5)6)14(21)16(22)19(3)4/h9,11-15,21,24H,7-8,10H2,1-6H3/b11-9+/t13-,14+,15+,18+/m0/s1
InChIKeyCNVWXQTYAUKQTI-CJGCASAQSA-N
XLogP0.61
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 50.61
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,2R)-2-hydroxy-2-propan-2-ylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide with MolForge

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Related Compounds

(2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2S,4S)-2-hydroxy-2,4-dimethylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide
CID 102068734
cis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol
CID 102462779
trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol
CID 130874578
2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane
CID 74892775
2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 115760056
(2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide
CID 14930114
2-methyl-1-propan-2-ylcyclohexan-1-ol
CID 19833595
dimethyl 2-[(E)-3-iodoprop-1-enyl]cyclopentane-1,1-dicarboxylate
CID 10545919
2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide
CID 54950879
3-(2,2-dimethylcyclopentyl)-1,1-dimethylurea
CID 115680560
[(2S)-3-cyclohexyl-1-(dimethylamino)-1-oxopropan-2-yl] formate
CID 141112494
N-(2-hydroxypropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 104918373

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2R)-2-hydroxy-2-propan-2-ylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide?
The IUPAC name of (2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2R)-2-hydroxy-2-propan-2-ylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide (CID 102068731) is (2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2R)-2-hydroxy-2-propan-2-ylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide.
What is the SMILES notation for (2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2R)-2-hydroxy-2-propan-2-ylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide?
The canonical SMILES for (2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2R)-2-hydroxy-2-propan-2-ylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide is CC(C)[C@]1(O)CCC[C@H]1/C=C/O[C@@H](C(=O)N(C)C)[C@@H](O)C(=O)N(C)C.
What is the InChIKey of (2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2R)-2-hydroxy-2-propan-2-ylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide?
The InChIKey is CNVWXQTYAUKQTI-CJGCASAQSA-N. The full InChI is InChI=1S/C18H32N2O5/c1-12(2)18(24)10-7-8-13(18)9-11-25-15(17(23)20(5)6)14(21)16(22)19(3)4/h9,11-15,21,24H,7-8,10H2,1-6H3/b11-9+/t13-,14+,15+,18+/m0/s1.
What are the key properties of (2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2R)-2-hydroxy-2-propan-2-ylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide?
(2R,3R)-2-hydroxy-3-[(E)-2-[(1S,2R)-2-hydroxy-2-propan-2-ylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide has a molecular weight of 356.46 g/mol, XLogP of 0.61, 7 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,2R)-2-hydroxy-2-propan-2-ylcyclopentyl]ethenoxy]-N,N,N',N'-tetramethylbutanediamide is sourced from PubChem (CID 102068731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).