tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]carbamate

C23H35NO2Si — CID 58900543

IUPACtert-butyl N-[[3-[tert-butyl(dimethyl)silyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C1=CC([Si](C)(C)C(C)(C)C)C=C1)c1ccccc1
InChIInChI=1S/C23H35NO2Si/c1-22(2,3)26-21(25)24-20(17-12-10-9-11-13-17)18-14-15-19(16-18)27(7,8)23(4,5)6/h9-16,19-20H,1-8H3,(H,24,25)
InChIKeyOYQALFYWSXVZBL-UHFFFAOYSA-N
MW385.62 g/mol
LogP6.63
Rot. Bonds4

About tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]carbamate

tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]carbamate (PubChem CID 58900543) has the molecular formula C23H35NO2Si and a molecular weight of 385.62 g/mol. Its IUPAC name is tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[tert-butyl(dimethyl)silyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]carbamate
PubChem CID58900543
Molecular FormulaC23H35NO2Si
Molecular Weight385.62 g/mol
Exact Mass385.24
IUPAC Nametert-butyl N-[[3-[tert-butyl(dimethyl)silyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C1=CC([Si](C)(C)C(C)(C)C)C=C1)c1ccccc1
InChIInChI=1S/C23H35NO2Si/c1-22(2,3)26-21(25)24-20(17-12-10-9-11-13-17)18-14-15-19(16-18)27(7,8)23(4,5)6/h9-16,19-20H,1-8H3,(H,24,25)
InChIKeyOYQALFYWSXVZBL-UHFFFAOYSA-N
XLogP6.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.62
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate
CID 104941376
tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 101391393
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[phenyl(phenylsulfanyl)methyl]carbamate
CID 23303676
tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
CID 15294700
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
tert-butyl N-[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamate
CID 26791694
tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate
CID 15864552
tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate
CID 20795477
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylsulfanylpropanoic acid
CID 70181169
tert-butyl N-[(1R,2R)-1-hydroxy-3-methyl-1-phenylbutan-2-yl]carbamate
CID 102037533
tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate
CID 102077726

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]carbamate?
The IUPAC name of tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]carbamate (CID 58900543) is tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]carbamate is CC(C)(C)OC(=O)NC(C1=CC([Si](C)(C)C(C)(C)C)C=C1)c1ccccc1.
What is the InChIKey of tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]carbamate?
The InChIKey is OYQALFYWSXVZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO2Si/c1-22(2,3)26-21(25)24-20(17-12-10-9-11-13-17)18-14-15-19(16-18)27(7,8)23(4,5)6/h9-16,19-20H,1-8H3,(H,24,25).
What are the key properties of tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]carbamate?
tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]carbamate has a molecular weight of 385.62 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]carbamate is sourced from PubChem (CID 58900543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).