tert-butyl N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methyl]carbamate;[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanamine;tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate;dichloromethane

C47H79Cl2N3O10Si2 — CID 160502554

IUPACtert-butyl N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methyl]carbamate;[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanamine;tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate;dichloromethane
SMILESCOc1cc(CN)ccc1O[Si](C)(C)C(C)(C)C.COc1cc(CNC(=O)OC(C)(C)C)ccc1O.COc1cc(CNC(=O)OC(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C.ClCCl
InChIInChI=1S/C19H33NO4Si.C14H25NO2Si.C13H19NO4.CH2Cl2/c1-18(2,3)23-17(21)20-13-14-10-11-15(16(12-14)22-7)24-25(8,9)19(4,5)6;1-14(2,3)18(5,6)17-12-8-7-11(10-15)9-13(12)16-4;1-13(2,3)18-12(16)14-8-9-5-6-10(15)11(7-9)17-4;2-1-3/h10-12H,13H2,1-9H3,(H,20,21);7-9H,10,15H2,1-6H3;5-7,15H,8H2,1-4H3,(H,14,16);1H2
InChIKeyQRYYOFYEFUBNOF-UHFFFAOYSA-N
MW973.24 g/mol
LogP12.49
Rot. Bonds12

About tert-butyl N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methyl]carbamate;[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanamine;tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate;dichloromethane

tert-butyl N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methyl]carbamate;[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanamine;tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate;dichloromethane (PubChem CID 160502554) has the molecular formula C47H79Cl2N3O10Si2 and a molecular weight of 973.24 g/mol. Its IUPAC name is tert-butyl N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methyl]carbamate;[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanamine;tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate;dichloromethane.

Molecular Properties

Compound Nametert-butyl N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methyl]carbamate;[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanamine;tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate;dichloromethane
PubChem CID160502554
Molecular FormulaC47H79Cl2N3O10Si2
Molecular Weight973.24 g/mol
Exact Mass971.47
IUPAC Nametert-butyl N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methyl]carbamate;[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanamine;tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate;dichloromethane
SMILESCOc1cc(CN)ccc1O[Si](C)(C)C(C)(C)C.COc1cc(CNC(=O)OC(C)(C)C)ccc1O.COc1cc(CNC(=O)OC(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C.ClCCl
InChIInChI=1S/C19H33NO4Si.C14H25NO2Si.C13H19NO4.CH2Cl2/c1-18(2,3)23-17(21)20-13-14-10-11-15(16(12-14)22-7)24-25(8,9)19(4,5)6;1-14(2,3)18(5,6)17-12-8-7-11(10-15)9-13(12)16-4;1-13(2,3)18-12(16)14-8-9-5-6-10(15)11(7-9)17-4;2-1-3/h10-12H,13H2,1-9H3,(H,20,21);7-9H,10,15H2,1-6H3;5-7,15H,8H2,1-4H3,(H,14,16);1H2
InChIKeyQRYYOFYEFUBNOF-UHFFFAOYSA-N
XLogP12.49
TPSA169.06 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500973.24
LogP ≤ 512.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze tert-butyl N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methyl]carbamate;[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanamine;tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate;dichloromethane with MolForge

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Related Compounds

2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
CID 77230394
2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate
CID 91749297
tert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate
CID 10710098
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005
(1E,6E)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 71314377
ethyl 2-[2-methoxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]-2-methylpropanoate
CID 23563104
tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate
CID 110282100
2-[2-methoxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]ethyl-trimethylazanium bromide
CID 10549988
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
tert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate
CID 107247978
tert-butyl N-[5-[[(2-chloroacetyl)amino]methyl]-2-methoxyphenyl]carbamate
CID 166419727
[[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate
CID 171419580

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methyl]carbamate;[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanamine;tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate;dichloromethane?
The IUPAC name of tert-butyl N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methyl]carbamate;[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanamine;tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate;dichloromethane (CID 160502554) is tert-butyl N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methyl]carbamate;[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanamine;tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate;dichloromethane.
What is the SMILES notation for tert-butyl N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methyl]carbamate;[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanamine;tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate;dichloromethane?
The canonical SMILES for tert-butyl N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methyl]carbamate;[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanamine;tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate;dichloromethane is COc1cc(CN)ccc1O[Si](C)(C)C(C)(C)C.COc1cc(CNC(=O)OC(C)(C)C)ccc1O.COc1cc(CNC(=O)OC(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C.ClCCl.
What is the InChIKey of tert-butyl N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methyl]carbamate;[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanamine;tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate;dichloromethane?
The InChIKey is QRYYOFYEFUBNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4Si.C14H25NO2Si.C13H19NO4.CH2Cl2/c1-18(2,3)23-17(21)20-13-14-10-11-15(16(12-14)22-7)24-25(8,9)19(4,5)6;1-14(2,3)18(5,6)17-12-8-7-11(10-15)9-13(12)16-4;1-13(2,3)18-12(16)14-8-9-5-6-10(15)11(7-9)17-4;2-1-3/h10-12H,13H2,1-9H3,(H,20,21);7-9H,10,15H2,1-6H3;5-7,15H,8H2,1-4H3,(H,14,16);1H2.
What are the key properties of tert-butyl N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methyl]carbamate;[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanamine;tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate;dichloromethane?
tert-butyl N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methyl]carbamate;[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanamine;tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate;dichloromethane has a molecular weight of 973.24 g/mol, XLogP of 12.49, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methyl]carbamate;[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanamine;tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate;dichloromethane is sourced from PubChem (CID 160502554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).