N-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine

C23H34NO4P — CID 22041931

IUPACN-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine
SMILESCC(C)(C)C(N(O)C(C)(C)C)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H34NO4P/c1-22(2,3)21(24(25)23(4,5)6)29(26,27-17-19-13-9-7-10-14-19)28-18-20-15-11-8-12-16-20/h7-16,21,25H,17-18H2,1-6H3
InChIKeyJCELFOINQKQYAL-UHFFFAOYSA-N
MW419.50 g/mol
LogP6.47
Rot. Bonds8

About N-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine

N-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine (PubChem CID 22041931) has the molecular formula C23H34NO4P and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine.

Molecular Properties

Compound NameN-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine
PubChem CID22041931
Molecular FormulaC23H34NO4P
Molecular Weight419.50 g/mol
Exact Mass419.22
IUPAC NameN-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine
SMILESCC(C)(C)C(N(O)C(C)(C)C)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H34NO4P/c1-22(2,3)21(24(25)23(4,5)6)29(26,27-17-19-13-9-7-10-14-19)28-18-20-15-11-8-12-16-20/h7-16,21,25H,17-18H2,1-6H3
InChIKeyJCELFOINQKQYAL-UHFFFAOYSA-N
XLogP6.47
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene
CID 173485287
N-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
CID 91262510
(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine
CID 134924285
benzyl tert-butyl hydrogen phosphate
CID 140989025
1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one
CID 23002023
phenyl N-[1-bis(phenylmethoxy)phosphorylethyl]-N-hydroxycarbamate
CID 10527113
bis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol
CID 102186412
(E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol
CID 5470783
benzyl dihydrogen phosphate;ethoxyethane
CID 67119526
[2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 58944428
dibenzyl hydrogen phosphate;silver
CID 85301331
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609

Frequently Asked Questions

What is the IUPAC name of N-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine?
The IUPAC name of N-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine (CID 22041931) is N-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine.
What is the SMILES notation for N-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine?
The canonical SMILES for N-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine is CC(C)(C)C(N(O)C(C)(C)C)P(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of N-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine?
The InChIKey is JCELFOINQKQYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34NO4P/c1-22(2,3)21(24(25)23(4,5)6)29(26,27-17-19-13-9-7-10-14-19)28-18-20-15-11-8-12-16-20/h7-16,21,25H,17-18H2,1-6H3.
What are the key properties of N-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine?
N-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine has a molecular weight of 419.50 g/mol, XLogP of 6.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine is sourced from PubChem (CID 22041931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).