tert-butyl N-(2-diphenylphosphanyl-1-phenylethyl)carbamate

C25H28NO2P — CID 164511127

IUPACtert-butyl N-(2-diphenylphosphanyl-1-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CP(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28NO2P/c1-25(2,3)28-24(27)26-23(20-13-7-4-8-14-20)19-29(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,26,27)
InChIKeyZBIOGSCSDMTYHM-UHFFFAOYSA-N
MW405.48 g/mol
LogP5.39
Rot. Bonds6

About tert-butyl N-(2-diphenylphosphanyl-1-phenylethyl)carbamate

tert-butyl N-(2-diphenylphosphanyl-1-phenylethyl)carbamate (PubChem CID 164511127) has the molecular formula C25H28NO2P and a molecular weight of 405.48 g/mol. Its IUPAC name is tert-butyl N-(2-diphenylphosphanyl-1-phenylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-diphenylphosphanyl-1-phenylethyl)carbamate
PubChem CID164511127
Molecular FormulaC25H28NO2P
Molecular Weight405.48 g/mol
Exact Mass405.19
IUPAC Nametert-butyl N-(2-diphenylphosphanyl-1-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CP(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28NO2P/c1-25(2,3)28-24(27)26-23(20-13-7-4-8-14-20)19-29(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,26,27)
InChIKeyZBIOGSCSDMTYHM-UHFFFAOYSA-N
XLogP5.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.48
LogP ≤ 55.39
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

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tert-butyl N-[4-[3-(dibenzylamino)propylamino]butyl]carbamate
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tert-butyl N-[4-[3-(dibenzylamino)propylamino]cyclohexyl]carbamate
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CID 145984289
1-Benzyl-4-(N-Boc-amino) piperidine
CID 4438618
tert-butyl N-[(1R)-2-cyano-1-phenylethyl]carbamate
CID 11459253
tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate
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tert-butyl N-(2-amino-1-phenylethyl)carbamate
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Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester
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CID 2771847

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-diphenylphosphanyl-1-phenylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-diphenylphosphanyl-1-phenylethyl)carbamate (CID 164511127) is tert-butyl N-(2-diphenylphosphanyl-1-phenylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-diphenylphosphanyl-1-phenylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-diphenylphosphanyl-1-phenylethyl)carbamate is CC(C)(C)OC(=O)NC(CP(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-(2-diphenylphosphanyl-1-phenylethyl)carbamate?
The InChIKey is ZBIOGSCSDMTYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28NO2P/c1-25(2,3)28-24(27)26-23(20-13-7-4-8-14-20)19-29(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,26,27).
What are the key properties of tert-butyl N-(2-diphenylphosphanyl-1-phenylethyl)carbamate?
tert-butyl N-(2-diphenylphosphanyl-1-phenylethyl)carbamate has a molecular weight of 405.48 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-diphenylphosphanyl-1-phenylethyl)carbamate is sourced from PubChem (CID 164511127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).