4-tri(propan-2-yl)silylbut-3-yn-2-yl N-methyl-N-phenylcarbamate

C21H33NO2Si — CID 102449591

IUPAC4-tri(propan-2-yl)silylbut-3-yn-2-yl N-methyl-N-phenylcarbamate
SMILESCC(C#C[Si](C(C)C)(C(C)C)C(C)C)OC(=O)N(C)c1ccccc1
InChIInChI=1S/C21H33NO2Si/c1-16(2)25(17(3)4,18(5)6)15-14-19(7)24-21(23)22(8)20-12-10-9-11-13-20/h9-13,16-19H,1-8H3
InChIKeyNGTKHHKHDRJSCJ-UHFFFAOYSA-N
MW359.59 g/mol
LogP5.87
Rot. Bonds5

About 4-tri(propan-2-yl)silylbut-3-yn-2-yl N-methyl-N-phenylcarbamate

4-tri(propan-2-yl)silylbut-3-yn-2-yl N-methyl-N-phenylcarbamate (PubChem CID 102449591) has the molecular formula C21H33NO2Si and a molecular weight of 359.59 g/mol. Its IUPAC name is 4-tri(propan-2-yl)silylbut-3-yn-2-yl N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name4-tri(propan-2-yl)silylbut-3-yn-2-yl N-methyl-N-phenylcarbamate
PubChem CID102449591
Molecular FormulaC21H33NO2Si
Molecular Weight359.59 g/mol
Exact Mass359.23
IUPAC Name4-tri(propan-2-yl)silylbut-3-yn-2-yl N-methyl-N-phenylcarbamate
SMILESCC(C#C[Si](C(C)C)(C(C)C)C(C)C)OC(=O)N(C)c1ccccc1
InChIInChI=1S/C21H33NO2Si/c1-16(2)25(17(3)4,18(5)6)15-14-19(7)24-21(23)22(8)20-12-10-9-11-13-20/h9-13,16-19H,1-8H3
InChIKeyNGTKHHKHDRJSCJ-UHFFFAOYSA-N
XLogP5.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.59
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-5-oxo-5-(N-phenylanilino)pent-3-yn-2-yl] acetate
CID 58683376
tert-butyl N-benzyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate
CID 25150738
acetamido N-methyl-N-phenylcarbamate
CID 155295151
2-hydroxyethyl N-methyl-N-phenylcarbamate
CID 79346039
2-O-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-O-[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
CID 29248727
N,3-dimethyl-2-methylidene-N-phenylbut-3-enamide
CID 89087492
N,3-dimethyl-N-phenylpentanamide
CID 147359069
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2626159
N-methyl-3-oxo-N-phenyl-2H-indazole-1-carboxamide
CID 67082194
propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate
CID 116655313
4-amino-N,3-dimethyl-N-phenylbutanamide
CID 81071544
propan-2-yl N-phenyl-N-propan-2-ylcarbamate
CID 71384721

Frequently Asked Questions

What is the IUPAC name of 4-tri(propan-2-yl)silylbut-3-yn-2-yl N-methyl-N-phenylcarbamate?
The IUPAC name of 4-tri(propan-2-yl)silylbut-3-yn-2-yl N-methyl-N-phenylcarbamate (CID 102449591) is 4-tri(propan-2-yl)silylbut-3-yn-2-yl N-methyl-N-phenylcarbamate.
What is the SMILES notation for 4-tri(propan-2-yl)silylbut-3-yn-2-yl N-methyl-N-phenylcarbamate?
The canonical SMILES for 4-tri(propan-2-yl)silylbut-3-yn-2-yl N-methyl-N-phenylcarbamate is CC(C#C[Si](C(C)C)(C(C)C)C(C)C)OC(=O)N(C)c1ccccc1.
What is the InChIKey of 4-tri(propan-2-yl)silylbut-3-yn-2-yl N-methyl-N-phenylcarbamate?
The InChIKey is NGTKHHKHDRJSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2Si/c1-16(2)25(17(3)4,18(5)6)15-14-19(7)24-21(23)22(8)20-12-10-9-11-13-20/h9-13,16-19H,1-8H3.
What are the key properties of 4-tri(propan-2-yl)silylbut-3-yn-2-yl N-methyl-N-phenylcarbamate?
4-tri(propan-2-yl)silylbut-3-yn-2-yl N-methyl-N-phenylcarbamate has a molecular weight of 359.59 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tri(propan-2-yl)silylbut-3-yn-2-yl N-methyl-N-phenylcarbamate is sourced from PubChem (CID 102449591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).