tert-butyl N-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]-N-[2-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethyl]carbamate

C35H55N3O8Si — CID 168835179

IUPACtert-butyl N-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]-N-[2-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCOc1cccc(O[Si](C)(C)C(C)(C)C)c1)Cc1cccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C35H55N3O8Si/c1-32(2,3)43-29(39)37(21-22-42-26-18-16-19-27(23-26)46-47(13,14)35(10,11)12)24-25-17-15-20-28(36-25)38(30(40)44-33(4,5)6)31(41)45-34(7,8)9/h15-20,23H,21-22,24H2,1-14H3
InChIKeyGZJRMOGTTQQULE-UHFFFAOYSA-N
MW673.92 g/mol
LogP8.96
Rot. Bonds9

About tert-butyl N-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]-N-[2-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethyl]carbamate

tert-butyl N-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]-N-[2-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethyl]carbamate (PubChem CID 168835179) has the molecular formula C35H55N3O8Si and a molecular weight of 673.92 g/mol. Its IUPAC name is tert-butyl N-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]-N-[2-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]-N-[2-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethyl]carbamate
PubChem CID168835179
Molecular FormulaC35H55N3O8Si
Molecular Weight673.92 g/mol
Exact Mass673.38
IUPAC Nametert-butyl N-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]-N-[2-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCOc1cccc(O[Si](C)(C)C(C)(C)C)c1)Cc1cccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C35H55N3O8Si/c1-32(2,3)43-29(39)37(21-22-42-26-18-16-19-27(23-26)46-47(13,14)35(10,11)12)24-25-17-15-20-28(36-25)38(30(40)44-33(4,5)6)31(41)45-34(7,8)9/h15-20,23H,21-22,24H2,1-14H3
InChIKeyGZJRMOGTTQQULE-UHFFFAOYSA-N
XLogP8.96
TPSA116.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.92
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3-ethoxyphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
CID 13387589
(3-butoxyphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
CID 20258044
Tert-butyl 4-[[3-[(6-amino-4-methyl-2-pyridinyl)methoxy]phenoxy]methyl]piperidine-1-carboxylate
CID 90394633
Tert-butyl 4-[[3-[[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]methoxy]phenoxy]methyl]piperidine-1-carboxylate
CID 90394634
[6-[[2-[3-[Tert-butyl(dimethyl)silyl]oxyphenoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-pyridinyl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 174057298

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]-N-[2-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]-N-[2-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethyl]carbamate (CID 168835179) is tert-butyl N-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]-N-[2-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]-N-[2-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]-N-[2-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethyl]carbamate is CC(C)(C)OC(=O)N(CCOc1cccc(O[Si](C)(C)C(C)(C)C)c1)Cc1cccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]-N-[2-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethyl]carbamate?
The InChIKey is GZJRMOGTTQQULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H55N3O8Si/c1-32(2,3)43-29(39)37(21-22-42-26-18-16-19-27(23-26)46-47(13,14)35(10,11)12)24-25-17-15-20-28(36-25)38(30(40)44-33(4,5)6)31(41)45-34(7,8)9/h15-20,23H,21-22,24H2,1-14H3.
What are the key properties of tert-butyl N-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]-N-[2-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethyl]carbamate?
tert-butyl N-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]-N-[2-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethyl]carbamate has a molecular weight of 673.92 g/mol, XLogP of 8.96, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]-N-[2-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethyl]carbamate is sourced from PubChem (CID 168835179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).