(2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide

C31H41NO6Si — CID 156782553

IUPAC(2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide
SMILESCON(C)C(=O)[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C31H41NO6Si/c1-32(34-2)31(33)30(37-23-27-19-13-8-14-20-27)29(36-22-26-17-11-7-12-18-26)28(38-39(3,4)5)24-35-21-25-15-9-6-10-16-25/h6-20,28-30H,21-24H2,1-5H3/t28-,29-,30-/m1/s1
InChIKeyMCJMYSAWPVJYEE-IDZRBWSNSA-N
MW551.76 g/mol
LogP5.61
Rot. Bonds16

About (2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide

(2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide (PubChem CID 156782553) has the molecular formula C31H41NO6Si and a molecular weight of 551.76 g/mol. Its IUPAC name is (2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide.

Molecular Properties

Compound Name(2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide
PubChem CID156782553
Molecular FormulaC31H41NO6Si
Molecular Weight551.76 g/mol
Exact Mass551.27
IUPAC Name(2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide
SMILESCON(C)C(=O)[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C31H41NO6Si/c1-32(34-2)31(33)30(37-23-27-19-13-8-14-20-27)29(36-22-26-17-11-7-12-18-26)28(38-39(3,4)5)24-35-21-25-15-9-6-10-16-25/h6-20,28-30H,21-24H2,1-5H3/t28-,29-,30-/m1/s1
InChIKeyMCJMYSAWPVJYEE-IDZRBWSNSA-N
XLogP5.61
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.76
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide with MolForge

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Related Compounds

(2S,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3,6-bis[(4-methoxyphenyl)methoxy]-N,2,4-trimethylhexanamide
CID 101199274
[(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl] 2,2-dimethylpropanoate
CID 102345387
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
2,3-diamino-N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexyl]propanamide
CID 22874999
trimethyl-(1,1,3-trifluoro-4-phenylmethoxybutan-2-yl)oxysilane
CID 175436607
[(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate
CID 101392493
(2R,3S,4S,5R)-5-hydroxy-N-(2-hydroxyethyl)-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
CID 25135652
(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
CID 122226978
[(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-5-tri(propan-2-yl)silyloxypentan-2-yl] 2,2-dimethylpropanoate
CID 71506563
1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612
(3S,4R,5R)-6,6-dimethoxy-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-one
CID 10531373
[(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane
CID 134878735

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide?
The IUPAC name of (2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide (CID 156782553) is (2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide.
What is the SMILES notation for (2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide?
The canonical SMILES for (2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide is CON(C)C(=O)[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of (2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide?
The InChIKey is MCJMYSAWPVJYEE-IDZRBWSNSA-N. The full InChI is InChI=1S/C31H41NO6Si/c1-32(34-2)31(33)30(37-23-27-19-13-8-14-20-27)29(36-22-26-17-11-7-12-18-26)28(38-39(3,4)5)24-35-21-25-15-9-6-10-16-25/h6-20,28-30H,21-24H2,1-5H3/t28-,29-,30-/m1/s1.
What are the key properties of (2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide?
(2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide has a molecular weight of 551.76 g/mol, XLogP of 5.61, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide is sourced from PubChem (CID 156782553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).