tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate

C18H31NO3Si — CID 19365126

IUPACtert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)C[Si](C)(C)C
InChIInChI=1S/C18H31NO3Si/c1-18(2,3)22-17(21)19-15(16(20)13-23(4,5)6)12-14-10-8-7-9-11-14/h7-11,15-16,20H,12-13H2,1-6H3,(H,19,21)
InChIKeyAHJPQWLUGOGUTC-UHFFFAOYSA-N
MW337.54 g/mol
LogP3.82
Rot. Bonds6

About tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate

tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate (PubChem CID 19365126) has the molecular formula C18H31NO3Si and a molecular weight of 337.54 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate
PubChem CID19365126
Molecular FormulaC18H31NO3Si
Molecular Weight337.54 g/mol
Exact Mass337.21
IUPAC Nametert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)C[Si](C)(C)C
InChIInChI=1S/C18H31NO3Si/c1-18(2,3)22-17(21)19-15(16(20)13-23(4,5)6)12-14-10-8-7-9-11-14/h7-11,15-16,20H,12-13H2,1-6H3,(H,19,21)
InChIKeyAHJPQWLUGOGUTC-UHFFFAOYSA-N
XLogP3.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 170895505
tert-butyl N-[(2S,3S)-3-hydroxy-4-[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]sulfanyl-1-phenylbutan-2-yl]carbamate
CID 15454052
tert-butyl N-[(2R,3R,5R)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 15428321
tert-butyl N-[(2S,3R)-4-cyano-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 68888451
(2S,4S,5S)-2-benzyl-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexanoic acid
CID 10070341
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
tert-butyl N-[(2R,3R)-3-hydroxy-4-nitro-1-phenylbutan-2-yl]carbamate
CID 86755418
tert-butyl N-[(2S,3R)-3-hydroxy-6-methyl-5-methylidene-1-phenylheptan-2-yl]carbamate
CID 10404599
[(2S,3S)-3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]-methylamino]-1-phenylbutan-2-yl]carbamic acid
CID 70052352
tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate
CID 22399693
tert-butyl N-[(2S,3R)-5-benzyl-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate
CID 11315041
tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylbutan-2-ylamino)-1-phenylbutan-2-yl]carbamate
CID 69429687

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate (CID 19365126) is tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate is CC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)C[Si](C)(C)C.
What is the InChIKey of tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate?
The InChIKey is AHJPQWLUGOGUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3Si/c1-18(2,3)22-17(21)19-15(16(20)13-23(4,5)6)12-14-10-8-7-9-11-14/h7-11,15-16,20H,12-13H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate?
tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate has a molecular weight of 337.54 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate is sourced from PubChem (CID 19365126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).