sodium;[acetyl(phenoxy)amino]methyl-hydroxy-oxophosphanium;hydride

C9H12NNaO4P+ — CID 175412657

IUPACsodium;[acetyl(phenoxy)amino]methyl-hydroxy-oxophosphanium;hydride
SMILESCC(=O)N(C[P+](=O)O)Oc1ccccc1.[H-].[Na+]
InChIInChI=1S/C9H10NO4P.Na.H/c1-8(11)10(7-15(12)13)14-9-5-3-2-4-6-9;;/h2-6H,7H2,1H3;;/q;+1;-1/p+1
InChIKeyDZRDLFRXUZRCOD-UHFFFAOYSA-O
MW252.16 g/mol
LogP-1.36
Rot. Bonds4

About sodium;[acetyl(phenoxy)amino]methyl-hydroxy-oxophosphanium;hydride

sodium;[acetyl(phenoxy)amino]methyl-hydroxy-oxophosphanium;hydride (PubChem CID 175412657) has the molecular formula C9H12NNaO4P+ and a molecular weight of 252.16 g/mol. Its IUPAC name is sodium;[acetyl(phenoxy)amino]methyl-hydroxy-oxophosphanium;hydride.

Molecular Properties

Compound Namesodium;[acetyl(phenoxy)amino]methyl-hydroxy-oxophosphanium;hydride
PubChem CID175412657
Molecular FormulaC9H12NNaO4P+
Molecular Weight252.16 g/mol
Exact Mass252.04
IUPAC Namesodium;[acetyl(phenoxy)amino]methyl-hydroxy-oxophosphanium;hydride
SMILESCC(=O)N(C[P+](=O)O)Oc1ccccc1.[H-].[Na+]
InChIInChI=1S/C9H10NO4P.Na.H/c1-8(11)10(7-15(12)13)14-9-5-3-2-4-6-9;;/h2-6H,7H2,1H3;;/q;+1;-1/p+1
InChIKeyDZRDLFRXUZRCOD-UHFFFAOYSA-O
XLogP-1.36
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-N-phenoxyacetamide
CID 140502076
ethyl(phenoxy)carbamic acid
CID 87330615
sodium;hydride;phenyl acetate
CID 159991718
phenoxy(3-phenoxyprop-2-enyl)carbamic acid
CID 173437232
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
lithium;hydride;phenyl acetate
CID 173276859
[acetyl(benzyl)amino] acetate
CID 131850460
chloro-[(1-methoxy-1-oxopropan-2-yl)-phenoxyamino]-oxophosphanium
CID 87166920
3-[acetyl(phenylmethoxy)amino]propanoic acid
CID 10060062
N-methyl-N-phenoxybutanamide
CID 91433690
N-methyl-N-[2-(4-phenoxyphenyl)ethyl]acetamide
CID 115191288
N-hydroxy-N-phenylmethoxyacetamide
CID 173249339

Frequently Asked Questions

What is the IUPAC name of sodium;[acetyl(phenoxy)amino]methyl-hydroxy-oxophosphanium;hydride?
The IUPAC name of sodium;[acetyl(phenoxy)amino]methyl-hydroxy-oxophosphanium;hydride (CID 175412657) is sodium;[acetyl(phenoxy)amino]methyl-hydroxy-oxophosphanium;hydride.
What is the SMILES notation for sodium;[acetyl(phenoxy)amino]methyl-hydroxy-oxophosphanium;hydride?
The canonical SMILES for sodium;[acetyl(phenoxy)amino]methyl-hydroxy-oxophosphanium;hydride is CC(=O)N(C[P+](=O)O)Oc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;[acetyl(phenoxy)amino]methyl-hydroxy-oxophosphanium;hydride?
The InChIKey is DZRDLFRXUZRCOD-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H10NO4P.Na.H/c1-8(11)10(7-15(12)13)14-9-5-3-2-4-6-9;;/h2-6H,7H2,1H3;;/q;+1;-1/p+1.
What are the key properties of sodium;[acetyl(phenoxy)amino]methyl-hydroxy-oxophosphanium;hydride?
sodium;[acetyl(phenoxy)amino]methyl-hydroxy-oxophosphanium;hydride has a molecular weight of 252.16 g/mol, XLogP of -1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[acetyl(phenoxy)amino]methyl-hydroxy-oxophosphanium;hydride is sourced from PubChem (CID 175412657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).