N-benzyl-N-[2-bis(phenylmethoxy)phosphorylpropyl]hydroxylamine

C24H28NO4P — CID 19883781

IUPACN-benzyl-N-[2-bis(phenylmethoxy)phosphorylpropyl]hydroxylamine
SMILESCC(CN(O)Cc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H28NO4P/c1-21(17-25(26)18-22-11-5-2-6-12-22)30(27,28-19-23-13-7-3-8-14-23)29-20-24-15-9-4-10-16-24/h2-16,21,26H,17-20H2,1H3
InChIKeyRCFBJBOHWRPDEJ-UHFFFAOYSA-N
MW425.46 g/mol
LogP5.89
Rot. Bonds11

About N-benzyl-N-[2-bis(phenylmethoxy)phosphorylpropyl]hydroxylamine

N-benzyl-N-[2-bis(phenylmethoxy)phosphorylpropyl]hydroxylamine (PubChem CID 19883781) has the molecular formula C24H28NO4P and a molecular weight of 425.46 g/mol. Its IUPAC name is N-benzyl-N-[2-bis(phenylmethoxy)phosphorylpropyl]hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-[2-bis(phenylmethoxy)phosphorylpropyl]hydroxylamine
PubChem CID19883781
Molecular FormulaC24H28NO4P
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC NameN-benzyl-N-[2-bis(phenylmethoxy)phosphorylpropyl]hydroxylamine
SMILESCC(CN(O)Cc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H28NO4P/c1-21(17-25(26)18-22-11-5-2-6-12-22)30(27,28-19-23-13-7-3-8-14-23)29-20-24-15-9-4-10-16-24/h2-16,21,26H,17-20H2,1H3
InChIKeyRCFBJBOHWRPDEJ-UHFFFAOYSA-N
XLogP5.89
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.46
LogP ≤ 55.89
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-[2-bis(phenylmethoxy)phosphorylpropyl]hydroxylamine?
The IUPAC name of N-benzyl-N-[2-bis(phenylmethoxy)phosphorylpropyl]hydroxylamine (CID 19883781) is N-benzyl-N-[2-bis(phenylmethoxy)phosphorylpropyl]hydroxylamine.
What is the SMILES notation for N-benzyl-N-[2-bis(phenylmethoxy)phosphorylpropyl]hydroxylamine?
The canonical SMILES for N-benzyl-N-[2-bis(phenylmethoxy)phosphorylpropyl]hydroxylamine is CC(CN(O)Cc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-bis(phenylmethoxy)phosphorylpropyl]hydroxylamine?
The InChIKey is RCFBJBOHWRPDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28NO4P/c1-21(17-25(26)18-22-11-5-2-6-12-22)30(27,28-19-23-13-7-3-8-14-23)29-20-24-15-9-4-10-16-24/h2-16,21,26H,17-20H2,1H3.
What are the key properties of N-benzyl-N-[2-bis(phenylmethoxy)phosphorylpropyl]hydroxylamine?
N-benzyl-N-[2-bis(phenylmethoxy)phosphorylpropyl]hydroxylamine has a molecular weight of 425.46 g/mol, XLogP of 5.89, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-bis(phenylmethoxy)phosphorylpropyl]hydroxylamine is sourced from PubChem (CID 19883781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).