N-benzyl-N-[bis(phenylmethoxy)phosphoryl-phenylmethyl]hydroxylamine

C28H28NO4P — CID 19883779

IUPACN-benzyl-N-[bis(phenylmethoxy)phosphoryl-phenylmethyl]hydroxylamine
SMILESO=P(OCc1ccccc1)(OCc1ccccc1)C(c1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C28H28NO4P/c30-29(21-24-13-5-1-6-14-24)28(27-19-11-4-12-20-27)34(31,32-22-25-15-7-2-8-16-25)33-23-26-17-9-3-10-18-26/h1-20,28,30H,21-23H2
InChIKeyOAGPFVXPTDEVBW-UHFFFAOYSA-N
MW473.51 g/mol
LogP7.20
Rot. Bonds11

About N-benzyl-N-[bis(phenylmethoxy)phosphoryl-phenylmethyl]hydroxylamine

N-benzyl-N-[bis(phenylmethoxy)phosphoryl-phenylmethyl]hydroxylamine (PubChem CID 19883779) has the molecular formula C28H28NO4P and a molecular weight of 473.51 g/mol. Its IUPAC name is N-benzyl-N-[bis(phenylmethoxy)phosphoryl-phenylmethyl]hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-[bis(phenylmethoxy)phosphoryl-phenylmethyl]hydroxylamine
PubChem CID19883779
Molecular FormulaC28H28NO4P
Molecular Weight473.51 g/mol
Exact Mass473.18
IUPAC NameN-benzyl-N-[bis(phenylmethoxy)phosphoryl-phenylmethyl]hydroxylamine
SMILESO=P(OCc1ccccc1)(OCc1ccccc1)C(c1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C28H28NO4P/c30-29(21-24-13-5-1-6-14-24)28(27-19-11-4-12-20-27)34(31,32-22-25-15-7-2-8-16-25)33-23-26-17-9-3-10-18-26/h1-20,28,30H,21-23H2
InChIKeyOAGPFVXPTDEVBW-UHFFFAOYSA-N
XLogP7.20
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.51
LogP ≤ 57.20
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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[bis(phenylmethoxy)phosphoryl-phenylmethyl]hydroxylamine?
The IUPAC name of N-benzyl-N-[bis(phenylmethoxy)phosphoryl-phenylmethyl]hydroxylamine (CID 19883779) is N-benzyl-N-[bis(phenylmethoxy)phosphoryl-phenylmethyl]hydroxylamine.
What is the SMILES notation for N-benzyl-N-[bis(phenylmethoxy)phosphoryl-phenylmethyl]hydroxylamine?
The canonical SMILES for N-benzyl-N-[bis(phenylmethoxy)phosphoryl-phenylmethyl]hydroxylamine is O=P(OCc1ccccc1)(OCc1ccccc1)C(c1ccccc1)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[bis(phenylmethoxy)phosphoryl-phenylmethyl]hydroxylamine?
The InChIKey is OAGPFVXPTDEVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28NO4P/c30-29(21-24-13-5-1-6-14-24)28(27-19-11-4-12-20-27)34(31,32-22-25-15-7-2-8-16-25)33-23-26-17-9-3-10-18-26/h1-20,28,30H,21-23H2.
What are the key properties of N-benzyl-N-[bis(phenylmethoxy)phosphoryl-phenylmethyl]hydroxylamine?
N-benzyl-N-[bis(phenylmethoxy)phosphoryl-phenylmethyl]hydroxylamine has a molecular weight of 473.51 g/mol, XLogP of 7.20, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[bis(phenylmethoxy)phosphoryl-phenylmethyl]hydroxylamine is sourced from PubChem (CID 19883779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).