N-[3-bis(phenylmethoxy)phosphorylpropyl]-N-phenylmethoxyacetamide

C26H30NO5P — CID 71752687

IUPACN-[3-bis(phenylmethoxy)phosphorylpropyl]-N-phenylmethoxyacetamide
SMILESCC(=O)N(CCCP(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H30NO5P/c1-23(28)27(30-20-24-12-5-2-6-13-24)18-11-19-33(29,31-21-25-14-7-3-8-15-25)32-22-26-16-9-4-10-17-26/h2-10,12-17H,11,18-22H2,1H3
InChIKeyXRFOPUVTELUIOT-UHFFFAOYSA-N
MW467.50 g/mol
LogP5.98
Rot. Bonds13

About N-[3-bis(phenylmethoxy)phosphorylpropyl]-N-phenylmethoxyacetamide

N-[3-bis(phenylmethoxy)phosphorylpropyl]-N-phenylmethoxyacetamide (PubChem CID 71752687) has the molecular formula C26H30NO5P and a molecular weight of 467.50 g/mol. Its IUPAC name is N-[3-bis(phenylmethoxy)phosphorylpropyl]-N-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[3-bis(phenylmethoxy)phosphorylpropyl]-N-phenylmethoxyacetamide
PubChem CID71752687
Molecular FormulaC26H30NO5P
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC NameN-[3-bis(phenylmethoxy)phosphorylpropyl]-N-phenylmethoxyacetamide
SMILESCC(=O)N(CCCP(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H30NO5P/c1-23(28)27(30-20-24-12-5-2-6-13-24)18-11-19-33(29,31-21-25-14-7-3-8-15-25)32-22-26-16-9-4-10-17-26/h2-10,12-17H,11,18-22H2,1H3
InChIKeyXRFOPUVTELUIOT-UHFFFAOYSA-N
XLogP5.98
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.50
LogP ≤ 55.98
H-Bond Donors ≤ 50
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-[3-bis(phenylmethoxy)phosphorylpropyl]-N-phenylmethoxyacetamide?
The IUPAC name of N-[3-bis(phenylmethoxy)phosphorylpropyl]-N-phenylmethoxyacetamide (CID 71752687) is N-[3-bis(phenylmethoxy)phosphorylpropyl]-N-phenylmethoxyacetamide.
What is the SMILES notation for N-[3-bis(phenylmethoxy)phosphorylpropyl]-N-phenylmethoxyacetamide?
The canonical SMILES for N-[3-bis(phenylmethoxy)phosphorylpropyl]-N-phenylmethoxyacetamide is CC(=O)N(CCCP(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of N-[3-bis(phenylmethoxy)phosphorylpropyl]-N-phenylmethoxyacetamide?
The InChIKey is XRFOPUVTELUIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30NO5P/c1-23(28)27(30-20-24-12-5-2-6-13-24)18-11-19-33(29,31-21-25-14-7-3-8-15-25)32-22-26-16-9-4-10-17-26/h2-10,12-17H,11,18-22H2,1H3.
What are the key properties of N-[3-bis(phenylmethoxy)phosphorylpropyl]-N-phenylmethoxyacetamide?
N-[3-bis(phenylmethoxy)phosphorylpropyl]-N-phenylmethoxyacetamide has a molecular weight of 467.50 g/mol, XLogP of 5.98, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bis(phenylmethoxy)phosphorylpropyl]-N-phenylmethoxyacetamide is sourced from PubChem (CID 71752687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).