benzyl N-[4-(3-trimethylsilylphenyl)but-3-enyl]carbamate

C21H27NO2Si — CID 170494266

IUPACbenzyl N-[4-(3-trimethylsilylphenyl)but-3-enyl]carbamate
SMILESC[Si](C)(C)c1cccc(C=CCCNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C21H27NO2Si/c1-25(2,3)20-14-9-13-18(16-20)10-7-8-15-22-21(23)24-17-19-11-5-4-6-12-19/h4-7,9-14,16H,8,15,17H2,1-3H3,(H,22,23)
InChIKeyJUIDUUHKXFAVJC-UHFFFAOYSA-N
MW353.54 g/mol
LogP4.56
Rot. Bonds7

About benzyl N-[4-(3-trimethylsilylphenyl)but-3-enyl]carbamate

benzyl N-[4-(3-trimethylsilylphenyl)but-3-enyl]carbamate (PubChem CID 170494266) has the molecular formula C21H27NO2Si and a molecular weight of 353.54 g/mol. Its IUPAC name is benzyl N-[4-(3-trimethylsilylphenyl)but-3-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(3-trimethylsilylphenyl)but-3-enyl]carbamate
PubChem CID170494266
Molecular FormulaC21H27NO2Si
Molecular Weight353.54 g/mol
Exact Mass353.18
IUPAC Namebenzyl N-[4-(3-trimethylsilylphenyl)but-3-enyl]carbamate
SMILESC[Si](C)(C)c1cccc(C=CCCNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C21H27NO2Si/c1-25(2,3)20-14-9-13-18(16-20)10-7-8-15-22-21(23)24-17-19-11-5-4-6-12-19/h4-7,9-14,16H,8,15,17H2,1-3H3,(H,22,23)
InChIKeyJUIDUUHKXFAVJC-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(phenylmethoxycarbonylamino)but-1-enyl]benzoic acid
CID 170493876
benzyl N-[4-(3-carbamoylphenyl)but-3-enyl]carbamate
CID 170494143
benzyl N-[4-(2H-benzotriazol-5-yl)but-3-enyl]carbamate
CID 170494202
benzyl N-[4-[3-(2,2,2-trifluoroacetyl)phenyl]but-3-enyl]carbamate
CID 170494884
benzyl N-[4-[3-(carbamothioylamino)phenyl]but-3-enyl]carbamate
CID 170494383
benzyl N-[4-(3-isocyanatophenyl)but-3-enyl]carbamate
CID 170494142
benzyl N-[4-(3,5-dichlorophenyl)but-3-enyl]carbamate
CID 170493593
benzyl N-[4-(6-acetyl-3-pyridinyl)but-3-enyl]carbamate
CID 170494132
methyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-carboxylate
CID 170494480
benzyl N-[4-(2-chloropyrimidin-5-yl)but-3-enyl]carbamate
CID 170493456
methyl 5-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyrimidine-2-carboxylate
CID 170494391
benzyl N-[4-[2-(dimethylamino)pyrimidin-5-yl]but-3-enyl]carbamate
CID 170494153

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(3-trimethylsilylphenyl)but-3-enyl]carbamate?
The IUPAC name of benzyl N-[4-(3-trimethylsilylphenyl)but-3-enyl]carbamate (CID 170494266) is benzyl N-[4-(3-trimethylsilylphenyl)but-3-enyl]carbamate.
What is the SMILES notation for benzyl N-[4-(3-trimethylsilylphenyl)but-3-enyl]carbamate?
The canonical SMILES for benzyl N-[4-(3-trimethylsilylphenyl)but-3-enyl]carbamate is C[Si](C)(C)c1cccc(C=CCCNC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[4-(3-trimethylsilylphenyl)but-3-enyl]carbamate?
The InChIKey is JUIDUUHKXFAVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2Si/c1-25(2,3)20-14-9-13-18(16-20)10-7-8-15-22-21(23)24-17-19-11-5-4-6-12-19/h4-7,9-14,16H,8,15,17H2,1-3H3,(H,22,23).
What are the key properties of benzyl N-[4-(3-trimethylsilylphenyl)but-3-enyl]carbamate?
benzyl N-[4-(3-trimethylsilylphenyl)but-3-enyl]carbamate has a molecular weight of 353.54 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(3-trimethylsilylphenyl)but-3-enyl]carbamate is sourced from PubChem (CID 170494266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).