tert-butyl N-[3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-3-oxopropyl]carbamate

C22H37NO5Si — CID 58241928

IUPACtert-butyl N-[3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)c1ccccc1OCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H37NO5Si/c1-21(2,3)28-20(25)23-14-13-18(24)17-11-9-10-12-19(17)26-15-16-27-29(7,8)22(4,5)6/h9-12H,13-16H2,1-8H3,(H,23,25)
InChIKeyIIFHKMOMYUGWET-UHFFFAOYSA-N
MW423.63 g/mol
LogP5.18
Rot. Bonds9

About tert-butyl N-[3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-3-oxopropyl]carbamate

tert-butyl N-[3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-3-oxopropyl]carbamate (PubChem CID 58241928) has the molecular formula C22H37NO5Si and a molecular weight of 423.63 g/mol. Its IUPAC name is tert-butyl N-[3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-3-oxopropyl]carbamate
PubChem CID58241928
Molecular FormulaC22H37NO5Si
Molecular Weight423.63 g/mol
Exact Mass423.24
IUPAC Nametert-butyl N-[3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)c1ccccc1OCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H37NO5Si/c1-21(2,3)28-20(25)23-14-13-18(24)17-11-9-10-12-19(17)26-15-16-27-29(7,8)22(4,5)6/h9-12H,13-16H2,1-8H3,(H,23,25)
InChIKeyIIFHKMOMYUGWET-UHFFFAOYSA-N
XLogP5.18
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.63
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[4-oxo-4-(2-phenoxy-3-pyridinyl)butyl]carbamate
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CID 102541910
tert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate
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tert-butyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883686

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-3-oxopropyl]carbamate (CID 58241928) is tert-butyl N-[3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-3-oxopropyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)c1ccccc1OCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-3-oxopropyl]carbamate?
The InChIKey is IIFHKMOMYUGWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO5Si/c1-21(2,3)28-20(25)23-14-13-18(24)17-11-9-10-12-19(17)26-15-16-27-29(7,8)22(4,5)6/h9-12H,13-16H2,1-8H3,(H,23,25).
What are the key properties of tert-butyl N-[3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-3-oxopropyl]carbamate?
tert-butyl N-[3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-3-oxopropyl]carbamate has a molecular weight of 423.63 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-3-oxopropyl]carbamate is sourced from PubChem (CID 58241928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).