tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]carbamate

C33H49NO4Si — CID 156675226

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]carbamate
SMILESCC(C)[Si](C#Cc1cc2ccccc2cc1CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C33H49NO4Si/c1-23(2)39(24(3)4,25(5)6)20-18-29-22-27-16-14-13-15-26(27)21-28(29)17-19-34(30(35)37-32(7,8)9)31(36)38-33(10,11)12/h13-16,21-25H,17,19H2,1-12H3
InChIKeyWNCVGNHPBPHOSV-UHFFFAOYSA-N
MW551.84 g/mol
LogP9.12
Rot. Bonds6

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]carbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]carbamate (PubChem CID 156675226) has the molecular formula C33H49NO4Si and a molecular weight of 551.84 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]carbamate
PubChem CID156675226
Molecular FormulaC33H49NO4Si
Molecular Weight551.84 g/mol
Exact Mass551.34
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]carbamate
SMILESCC(C)[Si](C#Cc1cc2ccccc2cc1CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C33H49NO4Si/c1-23(2)39(24(3)4,25(5)6)20-18-29-22-27-16-14-13-15-26(27)21-28(29)17-19-34(30(35)37-32(7,8)9)31(36)38-33(10,11)12/h13-16,21-25H,17,19H2,1-12H3
InChIKeyWNCVGNHPBPHOSV-UHFFFAOYSA-N
XLogP9.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.84
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]carbamate (CID 156675226) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]carbamate is CC(C)[Si](C#Cc1cc2ccccc2cc1CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]carbamate?
The InChIKey is WNCVGNHPBPHOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H49NO4Si/c1-23(2)39(24(3)4,25(5)6)20-18-29-22-27-16-14-13-15-26(27)21-28(29)17-19-34(30(35)37-32(7,8)9)31(36)38-33(10,11)12/h13-16,21-25H,17,19H2,1-12H3.
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]carbamate has a molecular weight of 551.84 g/mol, XLogP of 9.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]carbamate is sourced from PubChem (CID 156675226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).