[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

C31H47N3O8Si — CID 174057298

IUPAC[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
SMILESCC(C)(C)OC(=O)N(CCOc1cccc(O[Si](C)(C)C(C)(C)C)c1)Cc1cccc(N(C(=O)O)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C31H47N3O8Si/c1-29(2,3)40-27(37)33(18-19-39-23-15-13-16-24(20-23)42-43(10,11)31(7,8)9)21-22-14-12-17-25(32-22)34(26(35)36)28(38)41-30(4,5)6/h12-17,20H,18-19,21H2,1-11H3,(H,35,36)
InChIKeyMOZVCUCQEJDYRZ-UHFFFAOYSA-N
MW617.82 g/mol
LogP7.70
Rot. Bonds9

About [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

[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 (PubChem CID 174057298) has the molecular formula C31H47N3O8Si and a molecular weight of 617.82 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID174057298
Molecular FormulaC31H47N3O8Si
Molecular Weight617.82 g/mol
Exact Mass617.31
IUPAC Name[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
SMILESCC(C)(C)OC(=O)N(CCOc1cccc(O[Si](C)(C)C(C)(C)C)c1)Cc1cccc(N(C(=O)O)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C31H47N3O8Si/c1-29(2,3)40-27(37)33(18-19-39-23-15-13-16-24(20-23)42-43(10,11)31(7,8)9)21-22-14-12-17-25(32-22)34(26(35)36)28(38)41-30(4,5)6/h12-17,20H,18-19,21H2,1-11H3,(H,35,36)
InChIKeyMOZVCUCQEJDYRZ-UHFFFAOYSA-N
XLogP7.70
TPSA127.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.82
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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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 N-[(2R)-1-hydroxy-1-[[6-(3-methoxyphenoxy)-2-pyridinyl]amino]butan-2-yl]carbamate
CID 146265121
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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)(C)OC(=O)N(CCOc1cccc(O[Si](C)(C)C(C)(C)C)c1)Cc1cccc(N(C(=O)O)C(=O)OC(C)(C)C)n1.
What is the InChIKey of [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?
The InChIKey is MOZVCUCQEJDYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47N3O8Si/c1-29(2,3)40-27(37)33(18-19-39-23-15-13-16-24(20-23)42-43(10,11)31(7,8)9)21-22-14-12-17-25(32-22)34(26(35)36)28(38)41-30(4,5)6/h12-17,20H,18-19,21H2,1-11H3,(H,35,36).
What are the key properties of [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?
[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 has a molecular weight of 617.82 g/mol, XLogP of 7.70, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 174057298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).