tert-butyl N-[(E)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamate

C34H47NO3Si — CID 22949424

IUPACtert-butyl N-[(E)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(/C=C/C(CO[Si](C)(C)C(C)(C)C)Cc1ccccc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C34H47NO3Si/c1-33(2,3)38-32(36)35-31(24-27-18-20-29-16-12-13-17-30(29)23-27)21-19-28(22-26-14-10-9-11-15-26)25-37-39(7,8)34(4,5)6/h9-21,23,28,31H,22,24-25H2,1-8H3,(H,35,36)/b21-19+
InChIKeyAAELQGVAEZPDIE-XUTLUUPISA-N
MW545.84 g/mol
LogP8.71
Rot. Bonds10

About tert-butyl N-[(E)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamate

tert-butyl N-[(E)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamate (PubChem CID 22949424) has the molecular formula C34H47NO3Si and a molecular weight of 545.84 g/mol. Its IUPAC name is tert-butyl N-[(E)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamate
PubChem CID22949424
Molecular FormulaC34H47NO3Si
Molecular Weight545.84 g/mol
Exact Mass545.33
IUPAC Nametert-butyl N-[(E)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(/C=C/C(CO[Si](C)(C)C(C)(C)C)Cc1ccccc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C34H47NO3Si/c1-33(2,3)38-32(36)35-31(24-27-18-20-29-16-12-13-17-30(29)23-27)21-19-28(22-26-14-10-9-11-15-26)25-37-39(7,8)34(4,5)6/h9-21,23,28,31H,22,24-25H2,1-8H3,(H,35,36)/b21-19+
InChIKeyAAELQGVAEZPDIE-XUTLUUPISA-N
XLogP8.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.84
LogP ≤ 58.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(E)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]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

[(E,2R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamic acid
CID 142626458
tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]carbamate
CID 11314550
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-2-ylbutanoic acid
CID 7021578
(2R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-5-phenylpentanoic acid
CID 18655473
methyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate
CID 69430453
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 86751289
chloromethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 138986413
chloromethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 138986414
tert-butyl N-[(2R)-1-(diethylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
CID 11624892
ethyl (E,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoate
CID 11290535
methyl (2E,4E,6R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenylhepta-2,4-dienoate
CID 10404455
methyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylmethoxyphenyl)pent-2-enoate
CID 69415648

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(E)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamate (CID 22949424) is tert-butyl N-[(E)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamate is CC(C)(C)OC(=O)NC(/C=C/C(CO[Si](C)(C)C(C)(C)C)Cc1ccccc1)Cc1ccc2ccccc2c1.
What is the InChIKey of tert-butyl N-[(E)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamate?
The InChIKey is AAELQGVAEZPDIE-XUTLUUPISA-N. The full InChI is InChI=1S/C34H47NO3Si/c1-33(2,3)38-32(36)35-31(24-27-18-20-29-16-12-13-17-30(29)23-27)21-19-28(22-26-14-10-9-11-15-26)25-37-39(7,8)34(4,5)6/h9-21,23,28,31H,22,24-25H2,1-8H3,(H,35,36)/b21-19+.
What are the key properties of tert-butyl N-[(E)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamate?
tert-butyl N-[(E)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamate has a molecular weight of 545.84 g/mol, XLogP of 8.71, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamate is sourced from PubChem (CID 22949424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).