sodium;bis(phenylmethoxy)phosphorylcyanamide;hydride

C15H16N2NaO3P — CID 173399282

IUPACsodium;bis(phenylmethoxy)phosphorylcyanamide;hydride
SMILESN#CNP(=O)(OCc1ccccc1)OCc1ccccc1.[H-].[Na+]
InChIInChI=1S/C15H15N2O3P.Na.H/c16-13-17-21(18,19-11-14-7-3-1-4-8-14)20-12-15-9-5-2-6-10-15;;/h1-10H,11-12H2,(H,17,18);;/q;+1;-1
InChIKeyLCTGFHAITXCTJC-UHFFFAOYSA-N
MW326.27 g/mol
LogP0.72
Rot. Bonds7

About sodium;bis(phenylmethoxy)phosphorylcyanamide;hydride

sodium;bis(phenylmethoxy)phosphorylcyanamide;hydride (PubChem CID 173399282) has the molecular formula C15H16N2NaO3P and a molecular weight of 326.27 g/mol. Its IUPAC name is sodium;bis(phenylmethoxy)phosphorylcyanamide;hydride.

Molecular Properties

Compound Namesodium;bis(phenylmethoxy)phosphorylcyanamide;hydride
PubChem CID173399282
Molecular FormulaC15H16N2NaO3P
Molecular Weight326.27 g/mol
Exact Mass326.08
IUPAC Namesodium;bis(phenylmethoxy)phosphorylcyanamide;hydride
SMILESN#CNP(=O)(OCc1ccccc1)OCc1ccccc1.[H-].[Na+]
InChIInChI=1S/C15H15N2O3P.Na.H/c16-13-17-21(18,19-11-14-7-3-1-4-8-14)20-12-15-9-5-2-6-10-15;;/h1-10H,11-12H2,(H,17,18);;/q;+1;-1
InChIKeyLCTGFHAITXCTJC-UHFFFAOYSA-N
XLogP0.72
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(phenylmethoxy)phosphorylformonitrile
CID 57241641
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
dibenzyl hydrogen phosphate;silver
CID 85301331
N-bis(phenylmethoxy)phosphoryl-1,2-oxazol-3-amine
CID 118329922
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane
CID 162188865
benzyl bis(ethenyl) phosphate
CID 141056267
phenylmethoxy-(2-phenylphenyl)phosphinic acid
CID 139679821
hydroxy-imino-bis(phenylmethoxy)-λ5-phosphane
CID 57159517
3-bis(phenylmethoxy)phosphorylpropanoic acid
CID 46223844
sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid
CID 174747864

Frequently Asked Questions

What is the IUPAC name of sodium;bis(phenylmethoxy)phosphorylcyanamide;hydride?
The IUPAC name of sodium;bis(phenylmethoxy)phosphorylcyanamide;hydride (CID 173399282) is sodium;bis(phenylmethoxy)phosphorylcyanamide;hydride.
What is the SMILES notation for sodium;bis(phenylmethoxy)phosphorylcyanamide;hydride?
The canonical SMILES for sodium;bis(phenylmethoxy)phosphorylcyanamide;hydride is N#CNP(=O)(OCc1ccccc1)OCc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;bis(phenylmethoxy)phosphorylcyanamide;hydride?
The InChIKey is LCTGFHAITXCTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2O3P.Na.H/c16-13-17-21(18,19-11-14-7-3-1-4-8-14)20-12-15-9-5-2-6-10-15;;/h1-10H,11-12H2,(H,17,18);;/q;+1;-1.
What are the key properties of sodium;bis(phenylmethoxy)phosphorylcyanamide;hydride?
sodium;bis(phenylmethoxy)phosphorylcyanamide;hydride has a molecular weight of 326.27 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;bis(phenylmethoxy)phosphorylcyanamide;hydride is sourced from PubChem (CID 173399282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).