tert-butyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(2-prop-2-enoxyethoxy)anilino]acetate

C30H51NO7Si — CID 140905040

IUPACtert-butyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(2-prop-2-enoxyethoxy)anilino]acetate
SMILESC=CCOCCOc1ccc(CO[Si](C)(C)C(C)(C)C)cc1N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
InChIInChI=1S/C30H51NO7Si/c1-13-16-34-17-18-35-25-15-14-23(22-36-39(11,12)30(8,9)10)19-24(25)31(20-26(32)37-28(2,3)4)21-27(33)38-29(5,6)7/h13-15,19H,1,16-18,20-22H2,2-12H3
InChIKeyDKFUYISYIOBKLR-UHFFFAOYSA-N
MW565.82 g/mol
LogP6.28
Rot. Bonds14

About tert-butyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(2-prop-2-enoxyethoxy)anilino]acetate

tert-butyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(2-prop-2-enoxyethoxy)anilino]acetate (PubChem CID 140905040) has the molecular formula C30H51NO7Si and a molecular weight of 565.82 g/mol. Its IUPAC name is tert-butyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(2-prop-2-enoxyethoxy)anilino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(2-prop-2-enoxyethoxy)anilino]acetate
PubChem CID140905040
Molecular FormulaC30H51NO7Si
Molecular Weight565.82 g/mol
Exact Mass565.34
IUPAC Nametert-butyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(2-prop-2-enoxyethoxy)anilino]acetate
SMILESC=CCOCCOc1ccc(CO[Si](C)(C)C(C)(C)C)cc1N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
InChIInChI=1S/C30H51NO7Si/c1-13-16-34-17-18-35-25-15-14-23(22-36-39(11,12)30(8,9)10)19-24(25)31(20-26(32)37-28(2,3)4)21-27(33)38-29(5,6)7/h13-15,19H,1,16-18,20-22H2,2-12H3
InChIKeyDKFUYISYIOBKLR-UHFFFAOYSA-N
XLogP6.28
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.82
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-nitro-2-[(1S,2S)-2-prop-2-enoxycyclopentyl]oxyanilino]acetate
CID 140905051
tert-butyl-[[4-[2-[4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane
CID 76826455
tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane
CID 58596731
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 12018888
tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate
CID 23150978
tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate
CID 71514615
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methoxy-N-methylbenzamide
CID 89407391
tert-butyl 1-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methylamino]cyclopropane-1-carboxylate
CID 139987574
tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane
CID 68636763
[tert-butyl(dimethyl)silyl] 2-(3-chloro-4-prop-2-enoxyphenyl)acetate
CID 6429910
ditert-butyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]propanedioate
CID 123651815
5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbaldehyde
CID 6425101

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(2-prop-2-enoxyethoxy)anilino]acetate?
The IUPAC name of tert-butyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(2-prop-2-enoxyethoxy)anilino]acetate (CID 140905040) is tert-butyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(2-prop-2-enoxyethoxy)anilino]acetate.
What is the SMILES notation for tert-butyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(2-prop-2-enoxyethoxy)anilino]acetate?
The canonical SMILES for tert-butyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(2-prop-2-enoxyethoxy)anilino]acetate is C=CCOCCOc1ccc(CO[Si](C)(C)C(C)(C)C)cc1N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(2-prop-2-enoxyethoxy)anilino]acetate?
The InChIKey is DKFUYISYIOBKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51NO7Si/c1-13-16-34-17-18-35-25-15-14-23(22-36-39(11,12)30(8,9)10)19-24(25)31(20-26(32)37-28(2,3)4)21-27(33)38-29(5,6)7/h13-15,19H,1,16-18,20-22H2,2-12H3.
What are the key properties of tert-butyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(2-prop-2-enoxyethoxy)anilino]acetate?
tert-butyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(2-prop-2-enoxyethoxy)anilino]acetate has a molecular weight of 565.82 g/mol, XLogP of 6.28, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(2-prop-2-enoxyethoxy)anilino]acetate is sourced from PubChem (CID 140905040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).