2-[(2S,4R)-2-tert-butyl-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-5-oxo-1,3-dioxolan-4-yl]-N,N-dimethylacetamide

C16H29NO5 — CID 10615262

IUPAC2-[(2S,4R)-2-tert-butyl-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-5-oxo-1,3-dioxolan-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[C@]1([C@H](O)C(C)(C)C)O[C@H](C(C)(C)C)OC1=O
InChIInChI=1S/C16H29NO5/c1-14(2,3)11(19)16(9-10(18)17(7)8)12(20)21-13(22-16)15(4,5)6/h11,13,19H,9H2,1-8H3/t11-,13-,16-/m1/s1
InChIKeyUJNSCSWUTMYQEK-AXAPSJFSSA-N
MW315.41 g/mol
LogP1.56
Rot. Bonds3

About 2-[(2S,4R)-2-tert-butyl-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-5-oxo-1,3-dioxolan-4-yl]-N,N-dimethylacetamide

2-[(2S,4R)-2-tert-butyl-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-5-oxo-1,3-dioxolan-4-yl]-N,N-dimethylacetamide (PubChem CID 10615262) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[(2S,4R)-2-tert-butyl-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-5-oxo-1,3-dioxolan-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2S,4R)-2-tert-butyl-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-5-oxo-1,3-dioxolan-4-yl]-N,N-dimethylacetamide
PubChem CID10615262
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Name2-[(2S,4R)-2-tert-butyl-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-5-oxo-1,3-dioxolan-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[C@]1([C@H](O)C(C)(C)C)O[C@H](C(C)(C)C)OC1=O
InChIInChI=1S/C16H29NO5/c1-14(2,3)11(19)16(9-10(18)17(7)8)12(20)21-13(22-16)15(4,5)6/h11,13,19H,9H2,1-8H3/t11-,13-,16-/m1/s1
InChIKeyUJNSCSWUTMYQEK-AXAPSJFSSA-N
XLogP1.56
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S,4R)-2-tert-butyl-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-5-oxo-1,3-dioxolan-4-yl]-N,N-dimethylacetamide with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-5-(hydroxymethyl)-5-methyl-1,3-dioxane-4,6-dione
CID 141236108
(3R)-3-hydroxy-N,N,4,4-tetramethylpentanamide
CID 13197450
2-[(2S,4S)-2-tert-butyl-5-oxo-4-phenyl-1,3-dioxolan-4-yl]-1,3-diphenylpropane-1,3-dione
CID 101353890
(4S,6S)-6-tert-butyl-3,3-dichloro-5,7-dioxaspiro[3.4]octane-2,8-dione
CID 102182327
3-[(S)-[(2S,4S)-2-tert-butyl-5-oxo-4-phenyl-1,3-dioxolan-4-yl]-phenylmethyl]pentane-2,4-dione
CID 102252985
2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide
CID 2882420
(2R)-2-tert-butyl-6,6-dimethyl-1,3-dioxan-4-one
CID 14114159
2-tert-butyl-5,5,6-trimethyl-1,3-dioxan-4-one
CID 550947
(2R,4R,6R)-6-tert-butyl-1,2,4-trimethyl-5,7-dioxaspiro[2.5]octan-8-one
CID 15362390
(2S,5R)-2-tert-butyl-5-methyl-5-[(E)-3-phenylprop-2-enyl]-1,3-dioxolan-4-one
CID 11630460
(2R,5R,6R)-2-tert-butyl-5-[(1S)-1-hydroxypropyl]-6-methyl-1,3-dioxan-4-one
CID 14739200
2,2,2-tris(dimethylamino)-N,N-dimethylacetamide
CID 87823120

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-2-tert-butyl-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-5-oxo-1,3-dioxolan-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2S,4R)-2-tert-butyl-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-5-oxo-1,3-dioxolan-4-yl]-N,N-dimethylacetamide (CID 10615262) is 2-[(2S,4R)-2-tert-butyl-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-5-oxo-1,3-dioxolan-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2S,4R)-2-tert-butyl-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-5-oxo-1,3-dioxolan-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2S,4R)-2-tert-butyl-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-5-oxo-1,3-dioxolan-4-yl]-N,N-dimethylacetamide is CN(C)C(=O)C[C@]1([C@H](O)C(C)(C)C)O[C@H](C(C)(C)C)OC1=O.
What is the InChIKey of 2-[(2S,4R)-2-tert-butyl-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-5-oxo-1,3-dioxolan-4-yl]-N,N-dimethylacetamide?
The InChIKey is UJNSCSWUTMYQEK-AXAPSJFSSA-N. The full InChI is InChI=1S/C16H29NO5/c1-14(2,3)11(19)16(9-10(18)17(7)8)12(20)21-13(22-16)15(4,5)6/h11,13,19H,9H2,1-8H3/t11-,13-,16-/m1/s1.
What are the key properties of 2-[(2S,4R)-2-tert-butyl-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-5-oxo-1,3-dioxolan-4-yl]-N,N-dimethylacetamide?
2-[(2S,4R)-2-tert-butyl-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-5-oxo-1,3-dioxolan-4-yl]-N,N-dimethylacetamide has a molecular weight of 315.41 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-2-tert-butyl-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-5-oxo-1,3-dioxolan-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 10615262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).