benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]carbamate

C25H37NO4Si — CID 174054099

IUPACbenzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]carbamate
SMILESCC(O)C(CO[Si](C)(C)C(C)(C)C)N(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C25H37NO4Si/c1-20(27)23(19-30-31(5,6)25(2,3)4)26(17-21-13-9-7-10-14-21)24(28)29-18-22-15-11-8-12-16-22/h7-16,20,23,27H,17-19H2,1-6H3
InChIKeyQCTGARVWEAFWSP-UHFFFAOYSA-N
MW443.66 g/mol
LogP5.60
Rot. Bonds9

About benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]carbamate

benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]carbamate (PubChem CID 174054099) has the molecular formula C25H37NO4Si and a molecular weight of 443.66 g/mol. Its IUPAC name is benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]carbamate
PubChem CID174054099
Molecular FormulaC25H37NO4Si
Molecular Weight443.66 g/mol
Exact Mass443.25
IUPAC Namebenzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]carbamate
SMILESCC(O)C(CO[Si](C)(C)C(C)(C)C)N(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C25H37NO4Si/c1-20(27)23(19-30-31(5,6)25(2,3)4)26(17-21-13-9-7-10-14-21)24(28)29-18-22-15-11-8-12-16-22/h7-16,20,23,27H,17-19H2,1-6H3
InChIKeyQCTGARVWEAFWSP-UHFFFAOYSA-N
XLogP5.60
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.66
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]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-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate
CID 134877613
benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate
CID 154638930
benzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate
CID 10883306
benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-(5-ethylfuran-2-yl)propan-2-yl]-N-prop-2-ynylcarbamate
CID 134878181
benzyl N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]carbamate
CID 150347845
benzyl N-[(2R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate
CID 10906568
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 11689460
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 159754279
(E,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-7-(dibenzylamino)-6-hydroxyoct-2-en-4-one
CID 44632350
benzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate
CID 10789943
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[deuteriomethyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 142504183
ethyl (E,4R)-4-[benzyl-(2,2,2-trichloroacetyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134847688

Frequently Asked Questions

What is the IUPAC name of benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]carbamate?
The IUPAC name of benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]carbamate (CID 174054099) is benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]carbamate?
The canonical SMILES for benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]carbamate is CC(O)C(CO[Si](C)(C)C(C)(C)C)N(Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]carbamate?
The InChIKey is QCTGARVWEAFWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO4Si/c1-20(27)23(19-30-31(5,6)25(2,3)4)26(17-21-13-9-7-10-14-21)24(28)29-18-22-15-11-8-12-16-22/h7-16,20,23,27H,17-19H2,1-6H3.
What are the key properties of benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]carbamate?
benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]carbamate has a molecular weight of 443.66 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]carbamate is sourced from PubChem (CID 174054099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).