tert-butyl N-benzyl-N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]carbamate

C23H37NO3Si — CID 11516976

IUPACtert-butyl N-benzyl-N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]carbamate
SMILESCC(C)(C)OC(=O)N(C#CCCCO[Si](C)(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C23H37NO3Si/c1-22(2,3)27-21(25)24(19-20-15-11-9-12-16-20)17-13-10-14-18-26-28(7,8)23(4,5)6/h9,11-12,15-16H,10,14,18-19H2,1-8H3
InChIKeyAPEUJVKPYSTVMQ-UHFFFAOYSA-N
MW403.64 g/mol
LogP6.19
Rot. Bonds6

About tert-butyl N-benzyl-N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]carbamate

tert-butyl N-benzyl-N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]carbamate (PubChem CID 11516976) has the molecular formula C23H37NO3Si and a molecular weight of 403.64 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]carbamate
PubChem CID11516976
Molecular FormulaC23H37NO3Si
Molecular Weight403.64 g/mol
Exact Mass403.25
IUPAC Nametert-butyl N-benzyl-N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]carbamate
SMILESCC(C)(C)OC(=O)N(C#CCCCO[Si](C)(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C23H37NO3Si/c1-22(2,3)27-21(25)24(19-20-15-11-9-12-16-20)17-13-10-14-18-26-28(7,8)23(4,5)6/h9,11-12,15-16H,10,14,18-19H2,1-8H3
InChIKeyAPEUJVKPYSTVMQ-UHFFFAOYSA-N
XLogP6.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.64
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-benzyl-N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methylbenzylcarbamic acid tert-butyl ester
CID 10922066
Di-tert-butyl benzylimidodicarbonate
CID 11001299
tert-butyl N-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methyl]carbamate
CID 18469697
tert-butyl N-benzyl-N-(2-phenylethynyl)carbamate
CID 60170038
Tert-butyl 2-fluoro-4-((trimethylsilyl)ethynyl)benzylcarbamate
CID 90167352
tert-butyl N-[[3-fluoro-4-(2-trimethylsilylethynyl)phenyl]methyl]carbamate
CID 166459033
tert-butyl N-fluoro-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]carbamate
CID 173599607
prop-2-ynyl N-benzyl-N-methylcarbamate
CID 14567690
tert-butyl N-benzyl-N-[(E,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-4-(triethylsilyloxymethyl)hex-1-en-3-yl]carbamate
CID 15743156
ethyl N-benzyl-N-hexadecylcarbamate
CID 17821586
tert-butyl N-benzyl-N-(prop-2-yn-1-yl)carbamate
CID 21694565
propyl N-benzyl-N-hexylcarbamate
CID 140974004

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]carbamate (CID 11516976) is tert-butyl N-benzyl-N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]carbamate is CC(C)(C)OC(=O)N(C#CCCCO[Si](C)(C)C(C)(C)C)Cc1ccccc1.
What is the InChIKey of tert-butyl N-benzyl-N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]carbamate?
The InChIKey is APEUJVKPYSTVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO3Si/c1-22(2,3)27-21(25)24(19-20-15-11-9-12-16-20)17-13-10-14-18-26-28(7,8)23(4,5)6/h9,11-12,15-16H,10,14,18-19H2,1-8H3.
What are the key properties of tert-butyl N-benzyl-N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]carbamate?
tert-butyl N-benzyl-N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]carbamate has a molecular weight of 403.64 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]carbamate is sourced from PubChem (CID 11516976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).