tert-butyl N-[(R)-diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate

C17H28NO5P — CID 101090705

IUPACtert-butyl N-[(R)-diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate
SMILESCCOP(=O)(OCC)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H28NO5P/c1-7-21-24(20,22-8-2)15(14-11-9-13(3)10-12-14)18-16(19)23-17(4,5)6/h9-12,15H,7-8H2,1-6H3,(H,18,19)/t15-/m1/s1
InChIKeyNRBNGIHBIBSKKY-OAHLLOKOSA-N
MW357.39 g/mol
LogP4.78
Rot. Bonds7

About tert-butyl N-[(R)-diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate

tert-butyl N-[(R)-diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate (PubChem CID 101090705) has the molecular formula C17H28NO5P and a molecular weight of 357.39 g/mol. Its IUPAC name is tert-butyl N-[(R)-diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(R)-diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate
PubChem CID101090705
Molecular FormulaC17H28NO5P
Molecular Weight357.39 g/mol
Exact Mass357.17
IUPAC Nametert-butyl N-[(R)-diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate
SMILESCCOP(=O)(OCC)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H28NO5P/c1-7-21-24(20,22-8-2)15(14-11-9-13(3)10-12-14)18-16(19)23-17(4,5)6/h9-12,15H,7-8H2,1-6H3,(H,18,19)/t15-/m1/s1
InChIKeyNRBNGIHBIBSKKY-OAHLLOKOSA-N
XLogP4.78
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate
CID 10832165
tert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate
CID 10570312
tert-butyl N-[methoxy-(4-methylphenyl)methyl]carbamate
CID 42600656
2-(4-diethoxyphosphorylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 87455837
tert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate
CID 126713923
tert-butyl N-[(2R)-1-[(1-diethoxyphosphoryl-2-oxobutyl)amino]-1-oxopropan-2-yl]carbamate
CID 101219920
ethyl (2S)-3-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 89458542
tert-butyl N-[(1S,2S)-1-(4-methylphenyl)-2-nitropropyl]carbamate
CID 135055962
N-[diethoxyphosphoryl-(4-methylphenyl)methyl]-2-methylaniline
CID 102378436
tert-butyl N-[[(2S)-2-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]carbamate
CID 100651422
tert-butyl N-[1-[ethyl-[1-(4-methylphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1-oxopropan-2-yl]carbamate
CID 18009728
tert-butyl N-[(1R,2S)-1,2-bis(4-methylphenyl)-2-nitroethyl]carbamate
CID 86278065

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(R)-diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(R)-diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate (CID 101090705) is tert-butyl N-[(R)-diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(R)-diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(R)-diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate is CCOP(=O)(OCC)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1.
What is the InChIKey of tert-butyl N-[(R)-diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate?
The InChIKey is NRBNGIHBIBSKKY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28NO5P/c1-7-21-24(20,22-8-2)15(14-11-9-13(3)10-12-14)18-16(19)23-17(4,5)6/h9-12,15H,7-8H2,1-6H3,(H,18,19)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(R)-diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate?
tert-butyl N-[(R)-diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate has a molecular weight of 357.39 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(R)-diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate is sourced from PubChem (CID 101090705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).