dipotassium;hydride;[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid

C17H22K2NO5P — CID 173007799

IUPACdipotassium;hydride;[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid
SMILESO=C(CP(=O)(O)O)NCCCc1cccc(Oc2ccccc2)c1.[H-].[H-].[K+].[K+]
InChIInChI=1S/C17H20NO5P.2K.2H/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15;;;;/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H2,20,21,22);;;;/q;2*+1;2*-1
InChIKeyQLISBVUYMXWNFS-UHFFFAOYSA-N
MW429.54 g/mol
LogP-3.06
Rot. Bonds8

About dipotassium;hydride;[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid

dipotassium;hydride;[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid (PubChem CID 173007799) has the molecular formula C17H22K2NO5P and a molecular weight of 429.54 g/mol. Its IUPAC name is dipotassium;hydride;[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid.

Molecular Properties

Compound Namedipotassium;hydride;[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid
PubChem CID173007799
Molecular FormulaC17H22K2NO5P
Molecular Weight429.54 g/mol
Exact Mass429.05
IUPAC Namedipotassium;hydride;[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid
SMILESO=C(CP(=O)(O)O)NCCCc1cccc(Oc2ccccc2)c1.[H-].[H-].[K+].[K+]
InChIInChI=1S/C17H20NO5P.2K.2H/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15;;;;/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H2,20,21,22);;;;/q;2*+1;2*-1
InChIKeyQLISBVUYMXWNFS-UHFFFAOYSA-N
XLogP-3.06
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 5-3.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-phenoxyphenyl)propyl]propanamide
CID 58062216
dipotassium;N-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide
CID 58062257
N-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide
CID 91935111
[1-amino-1,3-dioxo-3-[3-(3-phenoxyphenyl)propylamino]propan-2-yl]phosphonic acid
CID 66680025
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
N-[3-(3-phenoxyphenyl)propyl]nitrous amide
CID 19736886
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid
CID 24748047
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 38002281
6-(3-phenoxyphenyl)hexan-1-ol
CID 70473652

Frequently Asked Questions

What is the IUPAC name of dipotassium;hydride;[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid?
The IUPAC name of dipotassium;hydride;[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid (CID 173007799) is dipotassium;hydride;[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid.
What is the SMILES notation for dipotassium;hydride;[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid?
The canonical SMILES for dipotassium;hydride;[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid is O=C(CP(=O)(O)O)NCCCc1cccc(Oc2ccccc2)c1.[H-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;hydride;[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid?
The InChIKey is QLISBVUYMXWNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20NO5P.2K.2H/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15;;;;/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H2,20,21,22);;;;/q;2*+1;2*-1.
What are the key properties of dipotassium;hydride;[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid?
dipotassium;hydride;[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid has a molecular weight of 429.54 g/mol, XLogP of -3.06, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;hydride;[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid is sourced from PubChem (CID 173007799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).