tri(propan-2-yl)silyl N-benzyl-N-[(2-ethenyl-6-methylphenyl)methyl]carbamate

C27H39NO2Si — CID 57382703

IUPACtri(propan-2-yl)silyl N-benzyl-N-[(2-ethenyl-6-methylphenyl)methyl]carbamate
SMILESC=Cc1cccc(C)c1CN(Cc1ccccc1)C(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H39NO2Si/c1-9-25-17-13-14-23(8)26(25)19-28(18-24-15-11-10-12-16-24)27(29)30-31(20(2)3,21(4)5)22(6)7/h9-17,20-22H,1,18-19H2,2-8H3
InChIKeyQPKXPYAQSZUPIU-UHFFFAOYSA-N
MW437.70 g/mol
LogP7.95
Rot. Bonds9

About tri(propan-2-yl)silyl N-benzyl-N-[(2-ethenyl-6-methylphenyl)methyl]carbamate

tri(propan-2-yl)silyl N-benzyl-N-[(2-ethenyl-6-methylphenyl)methyl]carbamate (PubChem CID 57382703) has the molecular formula C27H39NO2Si and a molecular weight of 437.70 g/mol. Its IUPAC name is tri(propan-2-yl)silyl N-benzyl-N-[(2-ethenyl-6-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl N-benzyl-N-[(2-ethenyl-6-methylphenyl)methyl]carbamate
PubChem CID57382703
Molecular FormulaC27H39NO2Si
Molecular Weight437.70 g/mol
Exact Mass437.28
IUPAC Nametri(propan-2-yl)silyl N-benzyl-N-[(2-ethenyl-6-methylphenyl)methyl]carbamate
SMILESC=Cc1cccc(C)c1CN(Cc1ccccc1)C(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H39NO2Si/c1-9-25-17-13-14-23(8)26(25)19-28(18-24-15-11-10-12-16-24)27(29)30-31(20(2)3,21(4)5)22(6)7/h9-17,20-22H,1,18-19H2,2-8H3
InChIKeyQPKXPYAQSZUPIU-UHFFFAOYSA-N
XLogP7.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.70
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl N-benzyl-N-[(2-ethenyl-6-methylphenyl)methyl]carbamate?
The IUPAC name of tri(propan-2-yl)silyl N-benzyl-N-[(2-ethenyl-6-methylphenyl)methyl]carbamate (CID 57382703) is tri(propan-2-yl)silyl N-benzyl-N-[(2-ethenyl-6-methylphenyl)methyl]carbamate.
What is the SMILES notation for tri(propan-2-yl)silyl N-benzyl-N-[(2-ethenyl-6-methylphenyl)methyl]carbamate?
The canonical SMILES for tri(propan-2-yl)silyl N-benzyl-N-[(2-ethenyl-6-methylphenyl)methyl]carbamate is C=Cc1cccc(C)c1CN(Cc1ccccc1)C(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl N-benzyl-N-[(2-ethenyl-6-methylphenyl)methyl]carbamate?
The InChIKey is QPKXPYAQSZUPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO2Si/c1-9-25-17-13-14-23(8)26(25)19-28(18-24-15-11-10-12-16-24)27(29)30-31(20(2)3,21(4)5)22(6)7/h9-17,20-22H,1,18-19H2,2-8H3.
What are the key properties of tri(propan-2-yl)silyl N-benzyl-N-[(2-ethenyl-6-methylphenyl)methyl]carbamate?
tri(propan-2-yl)silyl N-benzyl-N-[(2-ethenyl-6-methylphenyl)methyl]carbamate has a molecular weight of 437.70 g/mol, XLogP of 7.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl N-benzyl-N-[(2-ethenyl-6-methylphenyl)methyl]carbamate is sourced from PubChem (CID 57382703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).