N-benzyl-N-[bis(phenylmethoxy)phosphorylmethyl]hydroxylamine

C22H24NO4P — CID 19883771

IUPACN-benzyl-N-[bis(phenylmethoxy)phosphorylmethyl]hydroxylamine
SMILESO=P(CN(O)Cc1ccccc1)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H24NO4P/c24-23(16-20-10-4-1-5-11-20)19-28(25,26-17-21-12-6-2-7-13-21)27-18-22-14-8-3-9-15-22/h1-15,24H,16-19H2
InChIKeyPUOVTEFEAIMOEY-UHFFFAOYSA-N
MW397.41 g/mol
LogP5.46
Rot. Bonds10

About N-benzyl-N-[bis(phenylmethoxy)phosphorylmethyl]hydroxylamine

N-benzyl-N-[bis(phenylmethoxy)phosphorylmethyl]hydroxylamine (PubChem CID 19883771) has the molecular formula C22H24NO4P and a molecular weight of 397.41 g/mol. Its IUPAC name is N-benzyl-N-[bis(phenylmethoxy)phosphorylmethyl]hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-[bis(phenylmethoxy)phosphorylmethyl]hydroxylamine
PubChem CID19883771
Molecular FormulaC22H24NO4P
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC NameN-benzyl-N-[bis(phenylmethoxy)phosphorylmethyl]hydroxylamine
SMILESO=P(CN(O)Cc1ccccc1)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H24NO4P/c24-23(16-20-10-4-1-5-11-20)19-28(25,26-17-21-12-6-2-7-13-21)27-18-22-14-8-3-9-15-22/h1-15,24H,16-19H2
InChIKeyPUOVTEFEAIMOEY-UHFFFAOYSA-N
XLogP5.46
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.41
LogP ≤ 55.46
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)phosphorylmethyl]hydroxylamine?
The IUPAC name of N-benzyl-N-[bis(phenylmethoxy)phosphorylmethyl]hydroxylamine (CID 19883771) is N-benzyl-N-[bis(phenylmethoxy)phosphorylmethyl]hydroxylamine.
What is the SMILES notation for N-benzyl-N-[bis(phenylmethoxy)phosphorylmethyl]hydroxylamine?
The canonical SMILES for N-benzyl-N-[bis(phenylmethoxy)phosphorylmethyl]hydroxylamine is O=P(CN(O)Cc1ccccc1)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of N-benzyl-N-[bis(phenylmethoxy)phosphorylmethyl]hydroxylamine?
The InChIKey is PUOVTEFEAIMOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NO4P/c24-23(16-20-10-4-1-5-11-20)19-28(25,26-17-21-12-6-2-7-13-21)27-18-22-14-8-3-9-15-22/h1-15,24H,16-19H2.
What are the key properties of N-benzyl-N-[bis(phenylmethoxy)phosphorylmethyl]hydroxylamine?
N-benzyl-N-[bis(phenylmethoxy)phosphorylmethyl]hydroxylamine has a molecular weight of 397.41 g/mol, XLogP of 5.46, 10 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)phosphorylmethyl]hydroxylamine is sourced from PubChem (CID 19883771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).