(2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-N-methoxy-N-methylpropanamide

C31H47NO5Si — CID 11124411

IUPAC(2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)[C@H](C)[C@@H]1OC(C)(C)O[C@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1C
InChIInChI=1S/C31H47NO5Si/c1-22(27-23(2)28(37-31(7,8)36-27)24(3)29(33)32(9)34-10)21-35-38(30(4,5)6,25-17-13-11-14-18-25)26-19-15-12-16-20-26/h11-20,22-24,27-28H,21H2,1-10H3/t22-,23-,24-,27-,28-/m1/s1
InChIKeyKDBGCKLCKLHZJW-DPWFKFEQSA-N
MW541.81 g/mol
LogP5.01
Rot. Bonds9

About (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-N-methoxy-N-methylpropanamide

(2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-N-methoxy-N-methylpropanamide (PubChem CID 11124411) has the molecular formula C31H47NO5Si and a molecular weight of 541.81 g/mol. Its IUPAC name is (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-N-methoxy-N-methylpropanamide
PubChem CID11124411
Molecular FormulaC31H47NO5Si
Molecular Weight541.81 g/mol
Exact Mass541.32
IUPAC Name(2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)[C@H](C)[C@@H]1OC(C)(C)O[C@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1C
InChIInChI=1S/C31H47NO5Si/c1-22(27-23(2)28(37-31(7,8)36-27)24(3)29(33)32(9)34-10)21-35-38(30(4,5)6,25-17-13-11-14-18-25)26-19-15-12-16-20-26/h11-20,22-24,27-28H,21H2,1-10H3/t22-,23-,24-,27-,28-/m1/s1
InChIKeyKDBGCKLCKLHZJW-DPWFKFEQSA-N
XLogP5.01
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.81
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide
CID 10389126
2-[(2S,4S,5S,6R)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide
CID 16069270
7-(tert-Butyl-diphenyl-silanyloxy)-5-methoxy-3-methyl-decanoic acid methoxy-methyl-amide
CID 46844799
2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide
CID 134937912
6-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methyloxane-3-carboxamide
CID 168155974
(2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide
CID 10896388
Ethyl 2-[[tert-butyl(diphenyl)silyl]oxy-methylcarbamoyl]-4-(1,3-dioxan-2-yl)butanoate
CID 11124113
(2R,3R,4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N,N,2,4,6-pentamethylheptanamide
CID 71608493
(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-N,3-dimethoxy-N,6,6-trimethylheptanamide
CID 71658905
(3S,5S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N,3-dimethoxy-N,6,6-trimethylheptanamide
CID 71658910
N-methoxy-N-methyl-2-[(2R,4S,6R)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]acetamide
CID 101753938

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-N-methoxy-N-methylpropanamide?
The IUPAC name of (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-N-methoxy-N-methylpropanamide (CID 11124411) is (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-N-methoxy-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-N-methoxy-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-N-methoxy-N-methylpropanamide is CON(C)C(=O)[C@H](C)[C@@H]1OC(C)(C)O[C@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1C.
What is the InChIKey of (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-N-methoxy-N-methylpropanamide?
The InChIKey is KDBGCKLCKLHZJW-DPWFKFEQSA-N. The full InChI is InChI=1S/C31H47NO5Si/c1-22(27-23(2)28(37-31(7,8)36-27)24(3)29(33)32(9)34-10)21-35-38(30(4,5)6,25-17-13-11-14-18-25)26-19-15-12-16-20-26/h11-20,22-24,27-28H,21H2,1-10H3/t22-,23-,24-,27-,28-/m1/s1.
What are the key properties of (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-N-methoxy-N-methylpropanamide?
(2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-N-methoxy-N-methylpropanamide has a molecular weight of 541.81 g/mol, XLogP of 5.01, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 11124411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).