tert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate

C28H33N2O4P — CID 11179384

IUPACtert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1P(c1ccccc1)c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C28H33N2O4P/c1-27(2,3)33-25(31)29-21-16-10-12-18-23(21)35(20-14-8-7-9-15-20)24-19-13-11-17-22(24)30-26(32)34-28(4,5)6/h7-19H,1-6H3,(H,29,31)(H,30,32)
InChIKeyRLQOBQPBHGXUHE-UHFFFAOYSA-N
MW492.56 g/mol
LogP6.14
Rot. Bonds5

About tert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate

tert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate (PubChem CID 11179384) has the molecular formula C28H33N2O4P and a molecular weight of 492.56 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate
PubChem CID11179384
Molecular FormulaC28H33N2O4P
Molecular Weight492.56 g/mol
Exact Mass492.22
IUPAC Nametert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1P(c1ccccc1)c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C28H33N2O4P/c1-27(2,3)33-25(31)29-21-16-10-12-18-23(21)35(20-14-8-7-9-15-20)24-19-13-11-17-22(24)30-26(32)34-28(4,5)6/h7-19H,1-6H3,(H,29,31)(H,30,32)
InChIKeyRLQOBQPBHGXUHE-UHFFFAOYSA-N
XLogP6.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.56
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
tert-butyl N-(2-phenylsulfanylphenyl)carbamate
CID 12668805
methylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
CID 135026210
tert-butyl N-[2-(prop-1-enylamino)phenyl]carbamate
CID 150343828
tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
CID 22288328
tert-butyl N-[2-[bromo(hydroxy)methyl]phenyl]carbamate
CID 172603488
tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
CID 102449138
tert-butyl N-(2-oxoazepin-3-yl)carbamate
CID 21224786
tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate
CID 95247758
2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid
CID 143731245
tert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate
CID 71729413

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate (CID 11179384) is tert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1P(c1ccccc1)c1ccccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate?
The InChIKey is RLQOBQPBHGXUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N2O4P/c1-27(2,3)33-25(31)29-21-16-10-12-18-23(21)35(20-14-8-7-9-15-20)24-19-13-11-17-22(24)30-26(32)34-28(4,5)6/h7-19H,1-6H3,(H,29,31)(H,30,32).
What are the key properties of tert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate?
tert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate has a molecular weight of 492.56 g/mol, XLogP of 6.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate is sourced from PubChem (CID 11179384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).