2-methylpropyl N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]carbamate

C20H35NO3Si — CID 91749313

IUPAC2-methylpropyl N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]carbamate
SMILESCC(C)COC(=O)NC(C)C(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H35NO3Si/c1-15(2)14-23-19(22)21-16(3)18(17-12-10-9-11-13-17)24-25(7,8)20(4,5)6/h9-13,15-16,18H,14H2,1-8H3,(H,21,22)
InChIKeyKWCAVVIIBFBXAO-UHFFFAOYSA-N
MW365.59 g/mol
LogP5.52
Rot. Bonds7

About 2-methylpropyl N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]carbamate

2-methylpropyl N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]carbamate (PubChem CID 91749313) has the molecular formula C20H35NO3Si and a molecular weight of 365.59 g/mol. Its IUPAC name is 2-methylpropyl N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]carbamate
PubChem CID91749313
Molecular FormulaC20H35NO3Si
Molecular Weight365.59 g/mol
Exact Mass365.24
IUPAC Name2-methylpropyl N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]carbamate
SMILESCC(C)COC(=O)NC(C)C(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H35NO3Si/c1-15(2)14-23-19(22)21-16(3)18(17-12-10-9-11-13-17)24-25(7,8)20(4,5)6/h9-13,15-16,18H,14H2,1-8H3,(H,21,22)
InChIKeyKWCAVVIIBFBXAO-UHFFFAOYSA-N
XLogP5.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.59
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-methylpropyl N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]carbamate (CID 91749313) is 2-methylpropyl N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]carbamate is CC(C)COC(=O)NC(C)C(O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of 2-methylpropyl N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]carbamate?
The InChIKey is KWCAVVIIBFBXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3Si/c1-15(2)14-23-19(22)21-16(3)18(17-12-10-9-11-13-17)24-25(7,8)20(4,5)6/h9-13,15-16,18H,14H2,1-8H3,(H,21,22).
What are the key properties of 2-methylpropyl N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]carbamate?
2-methylpropyl N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]carbamate has a molecular weight of 365.59 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 91749313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).