methyl 3-(benzhydrylideneamino)-3-trimethylsilylpropanoate

C20H25NO2Si — CID 164888051

IUPACmethyl 3-(benzhydrylideneamino)-3-trimethylsilylpropanoate
SMILESCOC(=O)CC(N=C(c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C20H25NO2Si/c1-23-19(22)15-18(24(2,3)4)21-20(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,15H2,1-4H3
InChIKeyMRYXSFUWDNTPOH-UHFFFAOYSA-N
MW339.51 g/mol
LogP4.33
Rot. Bonds6

About methyl 3-(benzhydrylideneamino)-3-trimethylsilylpropanoate

methyl 3-(benzhydrylideneamino)-3-trimethylsilylpropanoate (PubChem CID 164888051) has the molecular formula C20H25NO2Si and a molecular weight of 339.51 g/mol. Its IUPAC name is methyl 3-(benzhydrylideneamino)-3-trimethylsilylpropanoate.

Molecular Properties

Compound Namemethyl 3-(benzhydrylideneamino)-3-trimethylsilylpropanoate
PubChem CID164888051
Molecular FormulaC20H25NO2Si
Molecular Weight339.51 g/mol
Exact Mass339.17
IUPAC Namemethyl 3-(benzhydrylideneamino)-3-trimethylsilylpropanoate
SMILESCOC(=O)CC(N=C(c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C20H25NO2Si/c1-23-19(22)15-18(24(2,3)4)21-20(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,15H2,1-4H3
InChIKeyMRYXSFUWDNTPOH-UHFFFAOYSA-N
XLogP4.33
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 54.33
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

methyl 3-(benzhydrylideneamino)-3-(4-tert-butylphenyl)propanoate
CID 164888029
1-O-benzyl 4-O-methyl 2-(benzhydrylideneamino)butanedioate
CID 164888054
methyl (3S)-3-hydroxy-5-oxo-5-phenylpentanoate
CID 45113502
methyl 3-(benzhydrylideneamino)-3-cyclohexyloxypropanoate
CID 164888049
methyl 3-benzoyl-4-oxo-4-phenylbutanoate
CID 10979354
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl 3-methyl-4-oxo-4-phenylbutanoate
CID 10774657
methyl (3S)-4-benzoyl-5-oxo-3,5-diphenylpentanoate
CID 134842570
methyl 3-benzamidobutanoate
CID 10857046
methyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate
CID 141348967
methyl (E)-3-phenylpent-3-enoate
CID 10012736
methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate
CID 171320236

Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzhydrylideneamino)-3-trimethylsilylpropanoate?
The IUPAC name of methyl 3-(benzhydrylideneamino)-3-trimethylsilylpropanoate (CID 164888051) is methyl 3-(benzhydrylideneamino)-3-trimethylsilylpropanoate.
What is the SMILES notation for methyl 3-(benzhydrylideneamino)-3-trimethylsilylpropanoate?
The canonical SMILES for methyl 3-(benzhydrylideneamino)-3-trimethylsilylpropanoate is COC(=O)CC(N=C(c1ccccc1)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of methyl 3-(benzhydrylideneamino)-3-trimethylsilylpropanoate?
The InChIKey is MRYXSFUWDNTPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2Si/c1-23-19(22)15-18(24(2,3)4)21-20(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,15H2,1-4H3.
What are the key properties of methyl 3-(benzhydrylideneamino)-3-trimethylsilylpropanoate?
methyl 3-(benzhydrylideneamino)-3-trimethylsilylpropanoate has a molecular weight of 339.51 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzhydrylideneamino)-3-trimethylsilylpropanoate is sourced from PubChem (CID 164888051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).