tert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate

C26H27N2O6P — CID 102500658

IUPACtert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate
SMILESCN1C(=O)[C@](NC(=O)OC(C)(C)C)(P(=O)(Oc2ccccc2)Oc2ccccc2)c2ccccc21
InChIInChI=1S/C26H27N2O6P/c1-25(2,3)32-24(30)27-26(21-17-11-12-18-22(21)28(4)23(26)29)35(31,33-19-13-7-5-8-14-19)34-20-15-9-6-10-16-20/h5-18H,1-4H3,(H,27,30)/t26-/m1/s1
InChIKeyVSVSSMYIFJTVGT-AREMUKBSSA-N
MW494.48 g/mol
LogP5.69
Rot. Bonds6

About tert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate

tert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate (PubChem CID 102500658) has the molecular formula C26H27N2O6P and a molecular weight of 494.48 g/mol. Its IUPAC name is tert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate
PubChem CID102500658
Molecular FormulaC26H27N2O6P
Molecular Weight494.48 g/mol
Exact Mass494.16
IUPAC Nametert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate
SMILESCN1C(=O)[C@](NC(=O)OC(C)(C)C)(P(=O)(Oc2ccccc2)Oc2ccccc2)c2ccccc21
InChIInChI=1S/C26H27N2O6P/c1-25(2,3)32-24(30)27-26(21-17-11-12-18-22(21)28(4)23(26)29)35(31,33-19-13-7-5-8-14-19)34-20-15-9-6-10-16-20/h5-18H,1-4H3,(H,27,30)/t26-/m1/s1
InChIKeyVSVSSMYIFJTVGT-AREMUKBSSA-N
XLogP5.69
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.48
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[1-methyl-3-(nitromethyl)-2-oxoindol-3-yl]carbamate
CID 135027360
tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate
CID 102106113
tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate
CID 134849816
tert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate
CID 102451333
tert-butyl N-[(S)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]carbamate
CID 132512143
tert-butyl N-(5-chloro-3-cyano-1-methyl-2-oxoindol-3-yl)carbamate
CID 102430954
tert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate
CID 102451331
tert-butyl N-[(3R)-1-methyl-5-nitro-2-oxo-3-phenylmethoxyindol-3-yl]carbamate
CID 122397372
methyl (3S)-3-[(3S)-3-methoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
CID 122219444
tert-butyl N-[(3S)-5-bromo-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate
CID 102451334
tert-butyl N-[(3S)-3-(2,5-dioxo-1-phenylpyrrol-3-yl)-1-ethyl-2-oxoindol-3-yl]carbamate
CID 139191989
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate (CID 102500658) is tert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate is CN1C(=O)[C@](NC(=O)OC(C)(C)C)(P(=O)(Oc2ccccc2)Oc2ccccc2)c2ccccc21.
What is the InChIKey of tert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate?
The InChIKey is VSVSSMYIFJTVGT-AREMUKBSSA-N. The full InChI is InChI=1S/C26H27N2O6P/c1-25(2,3)32-24(30)27-26(21-17-11-12-18-22(21)28(4)23(26)29)35(31,33-19-13-7-5-8-14-19)34-20-15-9-6-10-16-20/h5-18H,1-4H3,(H,27,30)/t26-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate?
tert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate has a molecular weight of 494.48 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate is sourced from PubChem (CID 102500658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).