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

C26H30NO2P — CID 15145878

IUPACtert-butyl N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30NO2P/c1-26(2,3)29-25(28)27-22(19-21-13-7-4-8-14-21)20-30(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,22H,19-20H2,1-3H3,(H,27,28)/t22-/m0/s1
InChIKeyDGULVVDTQUYQRS-QFIPXVFZSA-N
MW419.51 g/mol
LogP5.26
Rot. Bonds7

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

tert-butyl N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]carbamate (PubChem CID 15145878) has the molecular formula C26H30NO2P and a molecular weight of 419.51 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]carbamate
PubChem CID15145878
Molecular FormulaC26H30NO2P
Molecular Weight419.51 g/mol
Exact Mass419.20
IUPAC Nametert-butyl N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30NO2P/c1-26(2,3)29-25(28)27-22(19-21-13-7-4-8-14-21)20-30(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,22H,19-20H2,1-3H3,(H,27,28)/t22-/m0/s1
InChIKeyDGULVVDTQUYQRS-QFIPXVFZSA-N
XLogP5.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.51
LogP ≤ 55.26
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

tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
(S)-tert-Butyl (1-amino-3-phenylpropan-2-yl)carbamate
CID 10422234
tert-butyl N-(2-phenylethyl)carbamate
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tert-butyl N-[4-[3-(dibenzylamino)propylamino]cyclohexyl]carbamate
CID 145983714
Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester
CID 591298
Amphetamine, N-propoxycarbonyl-
CID 6420535
tert-butyl N-(4-amino-1-phenylbutan-2-yl)carbamate
CID 14925139
tert-butyl N-(4-amino-4-phenylbutyl)carbamate
CID 16795070
(S)-tert-Butyl (2-amino-3-phenylpropyl)carbamate
CID 53637716
[(1S,2S)-2-azido-1,2-dibenzylethyl]carbamic acid tert-butyl ester
CID 44418765
tert-butyl N-[(2S)-1-phenyl-3-[2-phenylethyl-[(E)-3-phenylprop-2-enoyl]amino]propan-2-yl]carbamate
CID 145984590
Carbamic acid, (1-methyl-2-phenylethyl)-, ethyl ester
CID 12403309

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]carbamate (CID 15145878) is tert-butyl N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]carbamate?
The InChIKey is DGULVVDTQUYQRS-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H30NO2P/c1-26(2,3)29-25(28)27-22(19-21-13-7-4-8-14-21)20-30(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,22H,19-20H2,1-3H3,(H,27,28)/t22-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]carbamate has a molecular weight of 419.51 g/mol, XLogP of 5.26, 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)-1-diphenylphosphanyl-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 15145878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).