N-[(2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-dimethylphosphoryloxypropan-2-yl]acetamide

C19H34NO4PSi — CID 58787911

IUPACN-[(2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-dimethylphosphoryloxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](COP(C)(C)=O)Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C19H34NO4PSi/c1-15(21)20-17(14-23-25(5,6)22)13-16-9-11-18(12-10-16)24-26(7,8)19(2,3)4/h9-12,17H,13-14H2,1-8H3,(H,20,21)/t17-/m1/s1
InChIKeyMVOWPSICWKHQMV-QGZVFWFLSA-N
MW399.54 g/mol
LogP4.67
Rot. Bonds8

About N-[(2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-dimethylphosphoryloxypropan-2-yl]acetamide

N-[(2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-dimethylphosphoryloxypropan-2-yl]acetamide (PubChem CID 58787911) has the molecular formula C19H34NO4PSi and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[(2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-dimethylphosphoryloxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-dimethylphosphoryloxypropan-2-yl]acetamide
PubChem CID58787911
Molecular FormulaC19H34NO4PSi
Molecular Weight399.54 g/mol
Exact Mass399.20
IUPAC NameN-[(2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-dimethylphosphoryloxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](COP(C)(C)=O)Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C19H34NO4PSi/c1-15(21)20-17(14-23-25(5,6)22)13-16-9-11-18(12-10-16)24-26(7,8)19(2,3)4/h9-12,17H,13-14H2,1-8H3,(H,20,21)/t17-/m1/s1
InChIKeyMVOWPSICWKHQMV-QGZVFWFLSA-N
XLogP4.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[tert-butyl(dimethyl)silyl] 2-amino-3-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl]propanoate
CID 91742096
tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate
CID 175230799
N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide
CID 71195446
tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate
CID 102018179
[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
CID 174189114
methyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10597663
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid
CID 167742574
tert-butyl-dimethyl-[4-(2-methylprop-2-enoxymethyl)phenoxy]silane
CID 10517786
benzyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 102575734
tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate
CID 172741943
tert-butyl-dimethyl-(4-propylphenoxy)silane;2-hydroxybutanedioic acid
CID 174782746
tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]carbamate
CID 11314550

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-dimethylphosphoryloxypropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-dimethylphosphoryloxypropan-2-yl]acetamide (CID 58787911) is N-[(2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-dimethylphosphoryloxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-dimethylphosphoryloxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-dimethylphosphoryloxypropan-2-yl]acetamide is CC(=O)N[C@@H](COP(C)(C)=O)Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of N-[(2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-dimethylphosphoryloxypropan-2-yl]acetamide?
The InChIKey is MVOWPSICWKHQMV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H34NO4PSi/c1-15(21)20-17(14-23-25(5,6)22)13-16-9-11-18(12-10-16)24-26(7,8)19(2,3)4/h9-12,17H,13-14H2,1-8H3,(H,20,21)/t17-/m1/s1.
What are the key properties of N-[(2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-dimethylphosphoryloxypropan-2-yl]acetamide?
N-[(2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-dimethylphosphoryloxypropan-2-yl]acetamide has a molecular weight of 399.54 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-dimethylphosphoryloxypropan-2-yl]acetamide is sourced from PubChem (CID 58787911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).