tert-butyl N-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethyl)phenoxy]ethyl]carbamate

C22H39NO5Si — CID 147259528

IUPACtert-butyl N-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethyl)phenoxy]ethyl]carbamate
SMILESCOCc1cc(CO[Si](C)(C)C(C)(C)C)cc(OCCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C22H39NO5Si/c1-21(2,3)28-20(24)23-10-11-26-19-13-17(15-25-7)12-18(14-19)16-27-29(8,9)22(4,5)6/h12-14H,10-11,15-16H2,1-9H3,(H,23,24)
InChIKeyCOHCLSGMJLHZMC-UHFFFAOYSA-N
MW425.64 g/mol
LogP5.26
Rot. Bonds9

About tert-butyl N-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethyl)phenoxy]ethyl]carbamate

tert-butyl N-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethyl)phenoxy]ethyl]carbamate (PubChem CID 147259528) has the molecular formula C22H39NO5Si and a molecular weight of 425.64 g/mol. Its IUPAC name is tert-butyl N-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethyl)phenoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethyl)phenoxy]ethyl]carbamate
PubChem CID147259528
Molecular FormulaC22H39NO5Si
Molecular Weight425.64 g/mol
Exact Mass425.26
IUPAC Nametert-butyl N-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethyl)phenoxy]ethyl]carbamate
SMILESCOCc1cc(CO[Si](C)(C)C(C)(C)C)cc(OCCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C22H39NO5Si/c1-21(2,3)28-20(24)23-10-11-26-19-13-17(15-25-7)12-18(14-19)16-27-29(8,9)22(4,5)6/h12-14H,10-11,15-16H2,1-9H3,(H,23,24)
InChIKeyCOHCLSGMJLHZMC-UHFFFAOYSA-N
XLogP5.26
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.64
LogP ≤ 55.26
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

methyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate
CID 165005191
dimethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzene-1,3-dicarboxylate
CID 58604122
methyl 3-hydroxy-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoate
CID 11324372
dimethyl 5-[2-[[3-[2-[3,5-bis(methoxycarbonyl)phenoxy]ethylcarbamoyl]-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoyl]amino]ethoxy]benzene-1,3-dicarboxylate
CID 102004963
tert-butyl N-[2-[4-(hydroxymethyl)phenoxy]ethyl]carbamate
CID 122451762
methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate
CID 58377303
2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid
CID 164513589
3-[3-fluoro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]propanoic acid
CID 126619985
tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
CID 139950407
tert-butyl N-[2-[4-(sulfanylmethyl)phenoxy]ethyl]carbamate
CID 122463054
tert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate
CID 175662867
tert-butyl N-[2-[(5-iodo-3-pyridinyl)oxy]ethyl]carbamate
CID 145472703

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethyl)phenoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethyl)phenoxy]ethyl]carbamate (CID 147259528) is tert-butyl N-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethyl)phenoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethyl)phenoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethyl)phenoxy]ethyl]carbamate is COCc1cc(CO[Si](C)(C)C(C)(C)C)cc(OCCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethyl)phenoxy]ethyl]carbamate?
The InChIKey is COHCLSGMJLHZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO5Si/c1-21(2,3)28-20(24)23-10-11-26-19-13-17(15-25-7)12-18(14-19)16-27-29(8,9)22(4,5)6/h12-14H,10-11,15-16H2,1-9H3,(H,23,24).
What are the key properties of tert-butyl N-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethyl)phenoxy]ethyl]carbamate?
tert-butyl N-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethyl)phenoxy]ethyl]carbamate has a molecular weight of 425.64 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethyl)phenoxy]ethyl]carbamate is sourced from PubChem (CID 147259528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).