(2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-2-hydroxyacetamide

C16H29NO6 — CID 67654613

IUPAC(2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-2-hydroxyacetamide
SMILESCCN(CC)C(=O)[C@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H29NO6/c1-7-17(8-2)14(19)11(18)13-12(22-16(5,6)23-13)10-9-20-15(3,4)21-10/h10-13,18H,7-9H2,1-6H3/t10-,11-,12-,13-/m1/s1
InChIKeyZGHWQOWLKLRXIJ-FDYHWXHSSA-N
MW331.41 g/mol
LogP0.89
Rot. Bonds5

About (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-2-hydroxyacetamide

(2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-2-hydroxyacetamide (PubChem CID 67654613) has the molecular formula C16H29NO6 and a molecular weight of 331.41 g/mol. Its IUPAC name is (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-2-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-2-hydroxyacetamide
PubChem CID67654613
Molecular FormulaC16H29NO6
Molecular Weight331.41 g/mol
Exact Mass331.20
IUPAC Name(2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-2-hydroxyacetamide
SMILESCCN(CC)C(=O)[C@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H29NO6/c1-7-17(8-2)14(19)11(18)13-12(22-16(5,6)23-13)10-9-20-15(3,4)21-10/h10-13,18H,7-9H2,1-6H3/t10-,11-,12-,13-/m1/s1
InChIKeyZGHWQOWLKLRXIJ-FDYHWXHSSA-N
XLogP0.89
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-2-hydroxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-2-hydroxyacetamide?
The IUPAC name of (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-2-hydroxyacetamide (CID 67654613) is (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-2-hydroxyacetamide.
What is the SMILES notation for (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-2-hydroxyacetamide?
The canonical SMILES for (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-2-hydroxyacetamide is CCN(CC)C(=O)[C@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-2-hydroxyacetamide?
The InChIKey is ZGHWQOWLKLRXIJ-FDYHWXHSSA-N. The full InChI is InChI=1S/C16H29NO6/c1-7-17(8-2)14(19)11(18)13-12(22-16(5,6)23-13)10-9-20-15(3,4)21-10/h10-13,18H,7-9H2,1-6H3/t10-,11-,12-,13-/m1/s1.
What are the key properties of (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-2-hydroxyacetamide?
(2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-2-hydroxyacetamide has a molecular weight of 331.41 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-2-hydroxyacetamide is sourced from PubChem (CID 67654613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).