tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate

C24H42N2O3Si — CID 67330677

IUPACtert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCO[Si](C)(C)C(C)(C)C)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C24H42N2O3Si/c1-23(2,3)29-22(27)26(16-17-28-30(7,8)24(4,5)6)21-14-15-25(19-21)18-20-12-10-9-11-13-20/h9-13,21H,14-19H2,1-8H3
InChIKeyVMDAJYLCRRWYPN-UHFFFAOYSA-N
MW434.70 g/mol
LogP5.52
Rot. Bonds7

About tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate

tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate (PubChem CID 67330677) has the molecular formula C24H42N2O3Si and a molecular weight of 434.70 g/mol. Its IUPAC name is tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate
PubChem CID67330677
Molecular FormulaC24H42N2O3Si
Molecular Weight434.70 g/mol
Exact Mass434.30
IUPAC Nametert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCO[Si](C)(C)C(C)(C)C)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C24H42N2O3Si/c1-23(2,3)29-22(27)26(16-17-28-30(7,8)24(4,5)6)21-14-15-25(19-21)18-20-12-10-9-11-13-20/h9-13,21H,14-19H2,1-8H3
InChIKeyVMDAJYLCRRWYPN-UHFFFAOYSA-N
XLogP5.52
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.70
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3S)-1-benzylpyrrolidin-3-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
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methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67597365
tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate
CID 167503825
tert-butyl N-(1-benzylpiperidin-3-yl)-N-tert-butylcarbamate
CID 140627422
tert-butyl (3R)-1-benzylpyrrolidine-3-carboxylate
CID 53487886
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
tert-butyl N-(1-benzylpiperidin-4-yl)-N-[3-(4-isocyanophenoxy)propyl]carbamate
CID 58996395
tert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate
CID 124637607
tert-butyl N-[(2S)-4-benzylmorpholin-2-yl]-N-methylcarbamate
CID 124637606
3-[6-[[(3R)-1-benzylpyrrolidin-3-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]prop-2-enoic acid
CID 68963272
1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one
CID 139909546
tert-butyl (2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylate
CID 167460257

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate?
The IUPAC name of tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate (CID 67330677) is tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate is CC(C)(C)OC(=O)N(CCO[Si](C)(C)C(C)(C)C)C1CCN(Cc2ccccc2)C1.
What is the InChIKey of tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate?
The InChIKey is VMDAJYLCRRWYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O3Si/c1-23(2,3)29-22(27)26(16-17-28-30(7,8)24(4,5)6)21-14-15-25(19-21)18-20-12-10-9-11-13-20/h9-13,21H,14-19H2,1-8H3.
What are the key properties of tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate?
tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate has a molecular weight of 434.70 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate is sourced from PubChem (CID 67330677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).