tert-butyl (2R)-2-(benzhydrylideneamino)-3-dimethylsilylpropanoate

C22H29NO2Si — CID 174032686

IUPACtert-butyl (2R)-2-(benzhydrylideneamino)-3-dimethylsilylpropanoate
SMILESC[SiH](C)C[C@H](N=C(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C22H29NO2Si/c1-22(2,3)25-21(24)19(16-26(4)5)23-20(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,19,26H,16H2,1-5H3/t19-/m0/s1
InChIKeyFOQJZNIGSKNPMK-IBGZPJMESA-N
MW367.56 g/mol
LogP4.72
Rot. Bonds6

About tert-butyl (2R)-2-(benzhydrylideneamino)-3-dimethylsilylpropanoate

tert-butyl (2R)-2-(benzhydrylideneamino)-3-dimethylsilylpropanoate (PubChem CID 174032686) has the molecular formula C22H29NO2Si and a molecular weight of 367.56 g/mol. Its IUPAC name is tert-butyl (2R)-2-(benzhydrylideneamino)-3-dimethylsilylpropanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(benzhydrylideneamino)-3-dimethylsilylpropanoate
PubChem CID174032686
Molecular FormulaC22H29NO2Si
Molecular Weight367.56 g/mol
Exact Mass367.20
IUPAC Nametert-butyl (2R)-2-(benzhydrylideneamino)-3-dimethylsilylpropanoate
SMILESC[SiH](C)C[C@H](N=C(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C22H29NO2Si/c1-22(2,3)25-21(24)19(16-26(4)5)23-20(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,19,26H,16H2,1-5H3/t19-/m0/s1
InChIKeyFOQJZNIGSKNPMK-IBGZPJMESA-N
XLogP4.72
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R)-2-(benzhydrylideneamino)hexanoate
CID 102116067
tert-butyl (2S)-2-(benzhydrylideneamino)-4-methylpent-4-enoate
CID 11360059
tert-butyl 2-(benzhydrylideneamino)-4-methylpent-4-enoate
CID 11725386
tert-butyl (2S)-2-(benzhydrylideneamino)-4-methoxybutanoate
CID 125473245
5-O-tert-butyl 1-O-methyl 4-(benzhydrylideneamino)-2-methylpentanedioate
CID 73300495
tert-butyl (2S)-2-(benzhydrylideneamino)hex-5-enoate
CID 58911908
tert-butyl 2-(benzhydrylideneamino)-3-(2-iodophenyl)propanoate
CID 74369383
tert-butyl 2-(benzhydrylideneamino)-3,3,3-trideuteriopropanoate
CID 175974441
tert-butyl 2-(benzhydrylideneamino)-3-(4-cyanophenyl)propanoate
CID 72980343
tert-butyl (2S)-2-(benzhydrylideneamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate
CID 138660032
tert-butyl (2R)-2-(benzhydrylideneamino)-5-oxo-5-pyridin-3-ylpentanoate
CID 46873349
tert-butyl (2S)-2-(benzhydrylideneamino)-3-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 138660301

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(benzhydrylideneamino)-3-dimethylsilylpropanoate?
The IUPAC name of tert-butyl (2R)-2-(benzhydrylideneamino)-3-dimethylsilylpropanoate (CID 174032686) is tert-butyl (2R)-2-(benzhydrylideneamino)-3-dimethylsilylpropanoate.
What is the SMILES notation for tert-butyl (2R)-2-(benzhydrylideneamino)-3-dimethylsilylpropanoate?
The canonical SMILES for tert-butyl (2R)-2-(benzhydrylideneamino)-3-dimethylsilylpropanoate is C[SiH](C)C[C@H](N=C(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(benzhydrylideneamino)-3-dimethylsilylpropanoate?
The InChIKey is FOQJZNIGSKNPMK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29NO2Si/c1-22(2,3)25-21(24)19(16-26(4)5)23-20(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,19,26H,16H2,1-5H3/t19-/m0/s1.
What are the key properties of tert-butyl (2R)-2-(benzhydrylideneamino)-3-dimethylsilylpropanoate?
tert-butyl (2R)-2-(benzhydrylideneamino)-3-dimethylsilylpropanoate has a molecular weight of 367.56 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(benzhydrylideneamino)-3-dimethylsilylpropanoate is sourced from PubChem (CID 174032686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).