1-(5-trimethylsilylfuran-3-yl)tridecyl N-[(1R)-1-phenylethyl]carbamate

C29H47NO3Si — CID 67902996

IUPAC1-(5-trimethylsilylfuran-3-yl)tridecyl N-[(1R)-1-phenylethyl]carbamate
SMILESCCCCCCCCCCCCC(OC(=O)N[C@H](C)c1ccccc1)c1coc([Si](C)(C)C)c1
InChIInChI=1S/C29H47NO3Si/c1-6-7-8-9-10-11-12-13-14-18-21-27(26-22-28(32-23-26)34(3,4)5)33-29(31)30-24(2)25-19-16-15-17-20-25/h15-17,19-20,22-24,27H,6-14,18,21H2,1-5H3,(H,30,31)/t24-,27?/m1/s1
InChIKeyPMCPLHVSOAEMTO-DXDQHDRFSA-N
MW485.79 g/mol
LogP8.66
Rot. Bonds16

About 1-(5-trimethylsilylfuran-3-yl)tridecyl N-[(1R)-1-phenylethyl]carbamate

1-(5-trimethylsilylfuran-3-yl)tridecyl N-[(1R)-1-phenylethyl]carbamate (PubChem CID 67902996) has the molecular formula C29H47NO3Si and a molecular weight of 485.79 g/mol. Its IUPAC name is 1-(5-trimethylsilylfuran-3-yl)tridecyl N-[(1R)-1-phenylethyl]carbamate.

Molecular Properties

Compound Name1-(5-trimethylsilylfuran-3-yl)tridecyl N-[(1R)-1-phenylethyl]carbamate
PubChem CID67902996
Molecular FormulaC29H47NO3Si
Molecular Weight485.79 g/mol
Exact Mass485.33
IUPAC Name1-(5-trimethylsilylfuran-3-yl)tridecyl N-[(1R)-1-phenylethyl]carbamate
SMILESCCCCCCCCCCCCC(OC(=O)N[C@H](C)c1ccccc1)c1coc([Si](C)(C)C)c1
InChIInChI=1S/C29H47NO3Si/c1-6-7-8-9-10-11-12-13-14-18-21-27(26-22-28(32-23-26)34(3,4)5)33-29(31)30-24(2)25-19-16-15-17-20-25/h15-17,19-20,22-24,27H,6-14,18,21H2,1-5H3,(H,30,31)/t24-,27?/m1/s1
InChIKeyPMCPLHVSOAEMTO-DXDQHDRFSA-N
XLogP8.66
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.79
LogP ≤ 58.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(5-trimethylsilylfuran-3-yl)tridecyl N-(1-phenylethyl)carbamate
CID 67903001
1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate
CID 15037068
bis(1-phenyloctyl) carbonate
CID 67179048
1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea
CID 15037084
1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]tridecyl acetate
CID 15723411
1-(5-trimethylsilylfuran-3-yl)undecan-1-ol
CID 19885896
butyl N-(1-phenylethyl)carbamate
CID 571821
1-(5-trimethylsilylfuran-3-yl)hexan-1-ol
CID 70413121
2-pentyl-N,N'-bis(1-phenylethyl)propanediamide
CID 4295925
tetrakis(1-phenylnonyl carbonate);tin(4+)
CID 162188042
1-phenylpentyl 2-octyldecanoate
CID 129279318
1-phenylpentyl 2-hexyloctanoate
CID 129279315

Frequently Asked Questions

What is the IUPAC name of 1-(5-trimethylsilylfuran-3-yl)tridecyl N-[(1R)-1-phenylethyl]carbamate?
The IUPAC name of 1-(5-trimethylsilylfuran-3-yl)tridecyl N-[(1R)-1-phenylethyl]carbamate (CID 67902996) is 1-(5-trimethylsilylfuran-3-yl)tridecyl N-[(1R)-1-phenylethyl]carbamate.
What is the SMILES notation for 1-(5-trimethylsilylfuran-3-yl)tridecyl N-[(1R)-1-phenylethyl]carbamate?
The canonical SMILES for 1-(5-trimethylsilylfuran-3-yl)tridecyl N-[(1R)-1-phenylethyl]carbamate is CCCCCCCCCCCCC(OC(=O)N[C@H](C)c1ccccc1)c1coc([Si](C)(C)C)c1.
What is the InChIKey of 1-(5-trimethylsilylfuran-3-yl)tridecyl N-[(1R)-1-phenylethyl]carbamate?
The InChIKey is PMCPLHVSOAEMTO-DXDQHDRFSA-N. The full InChI is InChI=1S/C29H47NO3Si/c1-6-7-8-9-10-11-12-13-14-18-21-27(26-22-28(32-23-26)34(3,4)5)33-29(31)30-24(2)25-19-16-15-17-20-25/h15-17,19-20,22-24,27H,6-14,18,21H2,1-5H3,(H,30,31)/t24-,27?/m1/s1.
What are the key properties of 1-(5-trimethylsilylfuran-3-yl)tridecyl N-[(1R)-1-phenylethyl]carbamate?
1-(5-trimethylsilylfuran-3-yl)tridecyl N-[(1R)-1-phenylethyl]carbamate has a molecular weight of 485.79 g/mol, XLogP of 8.66, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-trimethylsilylfuran-3-yl)tridecyl N-[(1R)-1-phenylethyl]carbamate is sourced from PubChem (CID 67902996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).