benzyl N-acetyl-N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate

C22H35NO5Si — CID 146163502

IUPACbenzyl N-acetyl-N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate
SMILESCC(=O)N(C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C22H35NO5Si/c1-17(24)23(21(25)27-16-18-11-8-7-9-12-18)15-20-19(13-10-14-26-20)28-29(5,6)22(2,3)4/h7-9,11-12,19-20H,10,13-16H2,1-6H3/t19-,20+/m0/s1
InChIKeyUCNPXZMILWUFPG-VQTJNVASSA-N
MW421.61 g/mol
LogP4.74
Rot. Bonds6

About benzyl N-acetyl-N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate

benzyl N-acetyl-N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate (PubChem CID 146163502) has the molecular formula C22H35NO5Si and a molecular weight of 421.61 g/mol. Its IUPAC name is benzyl N-acetyl-N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-acetyl-N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate
PubChem CID146163502
Molecular FormulaC22H35NO5Si
Molecular Weight421.61 g/mol
Exact Mass421.23
IUPAC Namebenzyl N-acetyl-N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate
SMILESCC(=O)N(C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C22H35NO5Si/c1-17(24)23(21(25)27-16-18-11-8-7-9-12-18)15-20-19(13-10-14-26-20)28-29(5,6)22(2,3)4/h7-9,11-12,19-20H,10,13-16H2,1-6H3/t19-,20+/m0/s1
InChIKeyUCNPXZMILWUFPG-VQTJNVASSA-N
XLogP4.74
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-Diacetoxy-N-benzyloxycarbonylpiperidine
CID 11439064
Benzyl 3-acetyloxypiperidine-1-carboxylate
CID 15251723
BenZyl 4-[(t-butyldimethylsilyl)oxy]piperidine-1-carboxylate
CID 101381363
benzyl N-acetyl-N-[[(2R,3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-(3-phenylmethoxypropyl)oxan-2-yl]methyl]carbamate
CID 140314309
Ethyl 4,4-dimethoxy-3-(phenylmethoxy)piperidine-1-carboxylate
CID 3019743
(5S)-3-[2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propoxy]acetyl]-5-phenyl-1,3-oxazolidin-2-one
CID 57697097
Benzyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidine-1-carboxylate
CID 90151320
Tert-butyl 4-phenylmethoxy-3-triethylsilyloxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 165176342
benzyl (3S,4R,5R)-3-fluoro-4,5-dimethoxypiperidine-1-carboxylate
CID 167335023
Benzyl 3-fluoro-4,5-dimethoxypiperidine-1-carboxylate
CID 175315127
(5R,6S)-N-(Benzyloxycarbonyl)-6-methyl-5-(triisopropylsiloxy)-2-piperidinone
CID 10645767
(2S,3R)-N-(Benzyloxycarbonyl)-6-vinyl-2-methyl-3-(triisopropylsiloxy)-1,2,3,4-tetrahydropyridine
CID 10741256

Frequently Asked Questions

What is the IUPAC name of benzyl N-acetyl-N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-acetyl-N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate (CID 146163502) is benzyl N-acetyl-N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-acetyl-N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-acetyl-N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate is CC(=O)N(C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-acetyl-N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate?
The InChIKey is UCNPXZMILWUFPG-VQTJNVASSA-N. The full InChI is InChI=1S/C22H35NO5Si/c1-17(24)23(21(25)27-16-18-11-8-7-9-12-18)15-20-19(13-10-14-26-20)28-29(5,6)22(2,3)4/h7-9,11-12,19-20H,10,13-16H2,1-6H3/t19-,20+/m0/s1.
What are the key properties of benzyl N-acetyl-N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate?
benzyl N-acetyl-N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate has a molecular weight of 421.61 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-acetyl-N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate is sourced from PubChem (CID 146163502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).