2-trimethylsilylethyl N-[4-[[4-(propan-2-yloxymethyl)phenyl]methyl]phenyl]carbamate

C23H33NO3Si — CID 69145954

IUPAC2-trimethylsilylethyl N-[4-[[4-(propan-2-yloxymethyl)phenyl]methyl]phenyl]carbamate
SMILESCC(C)OCc1ccc(Cc2ccc(NC(=O)OCC[Si](C)(C)C)cc2)cc1
InChIInChI=1S/C23H33NO3Si/c1-18(2)27-17-21-8-6-19(7-9-21)16-20-10-12-22(13-11-20)24-23(25)26-14-15-28(3,4)5/h6-13,18H,14-17H2,1-5H3,(H,24,25)
InChIKeyTYDLXNUCTBUGLP-UHFFFAOYSA-N
MW399.61 g/mol
LogP6.09
Rot. Bonds9

About 2-trimethylsilylethyl N-[4-[[4-(propan-2-yloxymethyl)phenyl]methyl]phenyl]carbamate

2-trimethylsilylethyl N-[4-[[4-(propan-2-yloxymethyl)phenyl]methyl]phenyl]carbamate (PubChem CID 69145954) has the molecular formula C23H33NO3Si and a molecular weight of 399.61 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[4-[[4-(propan-2-yloxymethyl)phenyl]methyl]phenyl]carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[4-[[4-(propan-2-yloxymethyl)phenyl]methyl]phenyl]carbamate
PubChem CID69145954
Molecular FormulaC23H33NO3Si
Molecular Weight399.61 g/mol
Exact Mass399.22
IUPAC Name2-trimethylsilylethyl N-[4-[[4-(propan-2-yloxymethyl)phenyl]methyl]phenyl]carbamate
SMILESCC(C)OCc1ccc(Cc2ccc(NC(=O)OCC[Si](C)(C)C)cc2)cc1
InChIInChI=1S/C23H33NO3Si/c1-18(2)27-17-21-8-6-19(7-9-21)16-20-10-12-22(13-11-20)24-23(25)26-14-15-28(3,4)5/h6-13,18H,14-17H2,1-5H3,(H,24,25)
InChIKeyTYDLXNUCTBUGLP-UHFFFAOYSA-N
XLogP6.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.61
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]propanamide
CID 119742882
2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate
CID 170966813
2-methoxyethyl N-[4-[[4-(2,5-dimethylhexan-3-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 130347168
[4-(2-aminoethoxycarbonylamino)phenyl]methyl 2-methylpropanoate;ethane;molecular hydrogen
CID 144997523
4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide
CID 119742858
prop-2-enyl N-[4-[[4-(prop-2-enoxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 3455881
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 30865071
[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
CID 162728348
2-trimethylsilylethyl N-(3-fluorophenyl)carbamate
CID 68758194
(2S)-2-amino-4-methylsulfanyl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide
CID 119300044
[5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate
CID 70350686
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8986523

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-[4-[[4-(propan-2-yloxymethyl)phenyl]methyl]phenyl]carbamate?
The IUPAC name of 2-trimethylsilylethyl N-[4-[[4-(propan-2-yloxymethyl)phenyl]methyl]phenyl]carbamate (CID 69145954) is 2-trimethylsilylethyl N-[4-[[4-(propan-2-yloxymethyl)phenyl]methyl]phenyl]carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[4-[[4-(propan-2-yloxymethyl)phenyl]methyl]phenyl]carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[4-[[4-(propan-2-yloxymethyl)phenyl]methyl]phenyl]carbamate is CC(C)OCc1ccc(Cc2ccc(NC(=O)OCC[Si](C)(C)C)cc2)cc1.
What is the InChIKey of 2-trimethylsilylethyl N-[4-[[4-(propan-2-yloxymethyl)phenyl]methyl]phenyl]carbamate?
The InChIKey is TYDLXNUCTBUGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO3Si/c1-18(2)27-17-21-8-6-19(7-9-21)16-20-10-12-22(13-11-20)24-23(25)26-14-15-28(3,4)5/h6-13,18H,14-17H2,1-5H3,(H,24,25).
What are the key properties of 2-trimethylsilylethyl N-[4-[[4-(propan-2-yloxymethyl)phenyl]methyl]phenyl]carbamate?
2-trimethylsilylethyl N-[4-[[4-(propan-2-yloxymethyl)phenyl]methyl]phenyl]carbamate has a molecular weight of 399.61 g/mol, XLogP of 6.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[4-[[4-(propan-2-yloxymethyl)phenyl]methyl]phenyl]carbamate is sourced from PubChem (CID 69145954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).