tert-butyl N-[(2S,3S)-1-diphenylphosphanyl-3-methylpentan-2-yl]carbamate

C23H32NO2P — CID 155936049

IUPACtert-butyl N-[(2S,3S)-1-diphenylphosphanyl-3-methylpentan-2-yl]carbamate
SMILESCC[C@H](C)[C@@H](CP(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H32NO2P/c1-6-18(2)21(24-22(25)26-23(3,4)5)17-27(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21H,6,17H2,1-5H3,(H,24,25)/t18-,21+/m0/s1
InChIKeyFJVTXBRYHDEVBJ-GHTZIAJQSA-N
MW385.49 g/mol
LogP5.06
Rot. Bonds7

About tert-butyl N-[(2S,3S)-1-diphenylphosphanyl-3-methylpentan-2-yl]carbamate

tert-butyl N-[(2S,3S)-1-diphenylphosphanyl-3-methylpentan-2-yl]carbamate (PubChem CID 155936049) has the molecular formula C23H32NO2P and a molecular weight of 385.49 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-1-diphenylphosphanyl-3-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-1-diphenylphosphanyl-3-methylpentan-2-yl]carbamate
PubChem CID155936049
Molecular FormulaC23H32NO2P
Molecular Weight385.49 g/mol
Exact Mass385.22
IUPAC Nametert-butyl N-[(2S,3S)-1-diphenylphosphanyl-3-methylpentan-2-yl]carbamate
SMILESCC[C@H](C)[C@@H](CP(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H32NO2P/c1-6-18(2)21(24-22(25)26-23(3,4)5)17-27(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21H,6,17H2,1-5H3,(H,24,25)/t18-,21+/m0/s1
InChIKeyFJVTXBRYHDEVBJ-GHTZIAJQSA-N
XLogP5.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S,E)-tert-Butyl 8-(tert-butyldiphenylsilyloxy)-2-methyloct-5-en-4-ylcarbamate
CID 58345823
tert-butyl N-[(E,3S)-1-phenylhex-1-en-3-yl]carbamate
CID 67560334
tert-butyl N-(3-phenylcyclohexyl)carbamate
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tert-butyl N-(1,3-diphenylpropan-2-yl)carbamate
CID 15417599
tert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate
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tert-butyl N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]carbamate
CID 11523957
tert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate
CID 15145877
tert-butyl N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]carbamate
CID 15145878
tert-butyl N-[(2S)-3-methyl-1-phenylselanylbutan-2-yl]carbamate
CID 24874554
4-t-Boc-amino-1,7-diphenyl-1,6-heptadiene
CID 101166481
tert-butyl N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-diphenylphosphanylbutan-2-yl]carbamate
CID 101777677
1,1-Dimethylethyl N-((2E)-1-(1-methylethyl)-3-phenyl-2-propen-1-yl)carbamate
CID 102537757

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-1-diphenylphosphanyl-3-methylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-1-diphenylphosphanyl-3-methylpentan-2-yl]carbamate (CID 155936049) is tert-butyl N-[(2S,3S)-1-diphenylphosphanyl-3-methylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-1-diphenylphosphanyl-3-methylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-1-diphenylphosphanyl-3-methylpentan-2-yl]carbamate is CC[C@H](C)[C@@H](CP(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3S)-1-diphenylphosphanyl-3-methylpentan-2-yl]carbamate?
The InChIKey is FJVTXBRYHDEVBJ-GHTZIAJQSA-N. The full InChI is InChI=1S/C23H32NO2P/c1-6-18(2)21(24-22(25)26-23(3,4)5)17-27(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21H,6,17H2,1-5H3,(H,24,25)/t18-,21+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-1-diphenylphosphanyl-3-methylpentan-2-yl]carbamate?
tert-butyl N-[(2S,3S)-1-diphenylphosphanyl-3-methylpentan-2-yl]carbamate has a molecular weight of 385.49 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-1-diphenylphosphanyl-3-methylpentan-2-yl]carbamate is sourced from PubChem (CID 155936049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).