benzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethyl]carbamate

C22H37NO5Si — CID 123453143

IUPACbenzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethyl]carbamate
SMILESCC1OC(C)(C)OC1C(CO[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C22H37NO5Si/c1-16-19(28-22(5,6)27-16)18(15-26-29(7,8)21(2,3)4)23-20(24)25-14-17-12-10-9-11-13-17/h9-13,16,18-19H,14-15H2,1-8H3,(H,23,24)
InChIKeyRZEYPGBKDBHZOD-UHFFFAOYSA-N
MW423.63 g/mol
LogP4.84
Rot. Bonds7

About benzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethyl]carbamate

benzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethyl]carbamate (PubChem CID 123453143) has the molecular formula C22H37NO5Si and a molecular weight of 423.63 g/mol. Its IUPAC name is benzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethyl]carbamate
PubChem CID123453143
Molecular FormulaC22H37NO5Si
Molecular Weight423.63 g/mol
Exact Mass423.24
IUPAC Namebenzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethyl]carbamate
SMILESCC1OC(C)(C)OC1C(CO[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C22H37NO5Si/c1-16-19(28-22(5,6)27-16)18(15-26-29(7,8)21(2,3)4)23-20(24)25-14-17-12-10-9-11-13-17/h9-13,16,18-19H,14-15H2,1-8H3,(H,23,24)
InChIKeyRZEYPGBKDBHZOD-UHFFFAOYSA-N
XLogP4.84
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.63
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate
CID 348068
methyl (3S)-3-(5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl)-3-(phenylmethoxycarbonylamino)propanoate
CID 102092423
benzyl N-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-(5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl)propyl]carbamate
CID 134920344
benzyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 10526313
tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate
CID 58420082
benzyl N-[2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate
CID 401740
2-trimethylsilylethyl N-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate
CID 140886495
tert-butyl N-[(2S,3R)-2-(1,1-difluoro-2-phenylmethoxyethyl)oxolan-3-yl]carbamate
CID 143391218
2-trimethylsilylethyl N-[(3R)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate
CID 145228693
benzyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate
CID 10506136
benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)butan-2-yl]carbamate
CID 10939048
(2S)-7-[(4S,5S)-2,2-dimethyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]-2-(phenylmethoxycarbonylamino)heptanoic acid
CID 11017211

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethyl]carbamate (CID 123453143) is benzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethyl]carbamate is CC1OC(C)(C)OC1C(CO[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethyl]carbamate?
The InChIKey is RZEYPGBKDBHZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO5Si/c1-16-19(28-22(5,6)27-16)18(15-26-29(7,8)21(2,3)4)23-20(24)25-14-17-12-10-9-11-13-17/h9-13,16,18-19H,14-15H2,1-8H3,(H,23,24).
What are the key properties of benzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethyl]carbamate?
benzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethyl]carbamate has a molecular weight of 423.63 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethyl]carbamate is sourced from PubChem (CID 123453143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).