phenyl N-[1-bis(phenylmethoxy)phosphorylethyl]-N-hydroxycarbamate

C23H24NO6P — CID 10527113

IUPACphenyl N-[1-bis(phenylmethoxy)phosphorylethyl]-N-hydroxycarbamate
SMILESCC(N(O)C(=O)Oc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H24NO6P/c1-19(24(26)23(25)30-22-15-9-4-10-16-22)31(27,28-17-20-11-5-2-6-12-20)29-18-21-13-7-3-8-14-21/h2-16,19,26H,17-18H2,1H3
InChIKeyRFEJZANLQJLNOI-UHFFFAOYSA-N
MW441.42 g/mol
LogP5.85
Rot. Bonds9

About phenyl N-[1-bis(phenylmethoxy)phosphorylethyl]-N-hydroxycarbamate

phenyl N-[1-bis(phenylmethoxy)phosphorylethyl]-N-hydroxycarbamate (PubChem CID 10527113) has the molecular formula C23H24NO6P and a molecular weight of 441.42 g/mol. Its IUPAC name is phenyl N-[1-bis(phenylmethoxy)phosphorylethyl]-N-hydroxycarbamate.

Molecular Properties

Compound Namephenyl N-[1-bis(phenylmethoxy)phosphorylethyl]-N-hydroxycarbamate
PubChem CID10527113
Molecular FormulaC23H24NO6P
Molecular Weight441.42 g/mol
Exact Mass441.13
IUPAC Namephenyl N-[1-bis(phenylmethoxy)phosphorylethyl]-N-hydroxycarbamate
SMILESCC(N(O)C(=O)Oc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H24NO6P/c1-19(24(26)23(25)30-22-15-9-4-10-16-22)31(27,28-17-20-11-5-2-6-12-20)29-18-21-13-7-3-8-14-21/h2-16,19,26H,17-18H2,1H3
InChIKeyRFEJZANLQJLNOI-UHFFFAOYSA-N
XLogP5.85
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.42
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'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
(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine
CID 134924285
N-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine
CID 22041931
phenyl 2-phenylmethoxypropanoate
CID 15731819
[4-bis(phenylmethoxy)phosphoryloxyphenyl] acetate
CID 163952948
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
benzyl N-[1-bis(phenylmethoxy)phosphoryl-3-methylbutyl]carbamate
CID 15855202
1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one
CID 86202371
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate
CID 174607780
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate
CID 168878000
bis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol
CID 102186412

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-bis(phenylmethoxy)phosphorylethyl]-N-hydroxycarbamate?
The IUPAC name of phenyl N-[1-bis(phenylmethoxy)phosphorylethyl]-N-hydroxycarbamate (CID 10527113) is phenyl N-[1-bis(phenylmethoxy)phosphorylethyl]-N-hydroxycarbamate.
What is the SMILES notation for phenyl N-[1-bis(phenylmethoxy)phosphorylethyl]-N-hydroxycarbamate?
The canonical SMILES for phenyl N-[1-bis(phenylmethoxy)phosphorylethyl]-N-hydroxycarbamate is CC(N(O)C(=O)Oc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of phenyl N-[1-bis(phenylmethoxy)phosphorylethyl]-N-hydroxycarbamate?
The InChIKey is RFEJZANLQJLNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24NO6P/c1-19(24(26)23(25)30-22-15-9-4-10-16-22)31(27,28-17-20-11-5-2-6-12-20)29-18-21-13-7-3-8-14-21/h2-16,19,26H,17-18H2,1H3.
What are the key properties of phenyl N-[1-bis(phenylmethoxy)phosphorylethyl]-N-hydroxycarbamate?
phenyl N-[1-bis(phenylmethoxy)phosphorylethyl]-N-hydroxycarbamate has a molecular weight of 441.42 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-bis(phenylmethoxy)phosphorylethyl]-N-hydroxycarbamate is sourced from PubChem (CID 10527113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).