dipotassium bis(acetamido-[2-(3-phenoxyphenyl)ethoxy]phosphinate)

C32H34K2N2O10P2 — CID 173007728

IUPACdipotassium bis(acetamido-[2-(3-phenoxyphenyl)ethoxy]phosphinate)
SMILESCC(=O)NP(=O)([O-])OCCc1cccc(Oc2ccccc2)c1.CC(=O)NP(=O)([O-])OCCc1cccc(Oc2ccccc2)c1.[K+].[K+]
InChIInChI=1S/2C16H18NO5P.2K/c2*1-13(18)17-23(19,20)21-11-10-14-6-5-9-16(12-14)22-15-7-3-2-4-8-15;;/h2*2-9,12H,10-11H2,1H3,(H2,17,18,19,20);;/q;;2*+1/p-2
InChIKeyBECRKOOREYTSKW-UHFFFAOYSA-L
MW746.77 g/mol
LogP-0.71
Rot. Bonds14

About dipotassium bis(acetamido-[2-(3-phenoxyphenyl)ethoxy]phosphinate)

dipotassium bis(acetamido-[2-(3-phenoxyphenyl)ethoxy]phosphinate) (PubChem CID 173007728) has the molecular formula C32H34K2N2O10P2 and a molecular weight of 746.77 g/mol. Its IUPAC name is dipotassium bis(acetamido-[2-(3-phenoxyphenyl)ethoxy]phosphinate).

Molecular Properties

Compound Namedipotassium bis(acetamido-[2-(3-phenoxyphenyl)ethoxy]phosphinate)
PubChem CID173007728
Molecular FormulaC32H34K2N2O10P2
Molecular Weight746.77 g/mol
Exact Mass746.10
IUPAC Namedipotassium bis(acetamido-[2-(3-phenoxyphenyl)ethoxy]phosphinate)
SMILESCC(=O)NP(=O)([O-])OCCc1cccc(Oc2ccccc2)c1.CC(=O)NP(=O)([O-])OCCc1cccc(Oc2ccccc2)c1.[K+].[K+]
InChIInChI=1S/2C16H18NO5P.2K/c2*1-13(18)17-23(19,20)21-11-10-14-6-5-9-16(12-14)22-15-7-3-2-4-8-15;;/h2*2-9,12H,10-11H2,1H3,(H2,17,18,19,20);;/q;;2*+1/p-2
InChIKeyBECRKOOREYTSKW-UHFFFAOYSA-L
XLogP-0.71
TPSA175.38 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500746.77
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze dipotassium bis(acetamido-[2-(3-phenoxyphenyl)ethoxy]phosphinate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid
CID 124585346
2-oxo-4-(3-phenoxyphenyl)butanoic acid
CID 82185753
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
dipotassium;hydride;[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid
CID 173007799
(2S)-2-acetamido-N-methylsulfonyl-3-(3-phenoxyphenyl)propanamide
CID 167756831
N-[3-(3-phenoxyphenyl)propyl]propanamide
CID 58062216
4-acetamido-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39022053
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
tripotassium;phenoxybenzene;phosphate
CID 160692134
[1-amino-1,3-dioxo-3-[3-(3-phenoxyphenyl)propylamino]propan-2-yl]phosphonic acid
CID 66680025
(3-phenoxyphenyl)methyl N-methylcarbamate
CID 23548707
4-[methyl-[(3-phenoxyphenyl)methyl]amino]-2,4-dioxobutanoic acid
CID 90685468

Frequently Asked Questions

What is the IUPAC name of dipotassium bis(acetamido-[2-(3-phenoxyphenyl)ethoxy]phosphinate)?
The IUPAC name of dipotassium bis(acetamido-[2-(3-phenoxyphenyl)ethoxy]phosphinate) (CID 173007728) is dipotassium bis(acetamido-[2-(3-phenoxyphenyl)ethoxy]phosphinate).
What is the SMILES notation for dipotassium bis(acetamido-[2-(3-phenoxyphenyl)ethoxy]phosphinate)?
The canonical SMILES for dipotassium bis(acetamido-[2-(3-phenoxyphenyl)ethoxy]phosphinate) is CC(=O)NP(=O)([O-])OCCc1cccc(Oc2ccccc2)c1.CC(=O)NP(=O)([O-])OCCc1cccc(Oc2ccccc2)c1.[K+].[K+].
What is the InChIKey of dipotassium bis(acetamido-[2-(3-phenoxyphenyl)ethoxy]phosphinate)?
The InChIKey is BECRKOOREYTSKW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H18NO5P.2K/c2*1-13(18)17-23(19,20)21-11-10-14-6-5-9-16(12-14)22-15-7-3-2-4-8-15;;/h2*2-9,12H,10-11H2,1H3,(H2,17,18,19,20);;/q;;2*+1/p-2.
What are the key properties of dipotassium bis(acetamido-[2-(3-phenoxyphenyl)ethoxy]phosphinate)?
dipotassium bis(acetamido-[2-(3-phenoxyphenyl)ethoxy]phosphinate) has a molecular weight of 746.77 g/mol, XLogP of -0.71, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium bis(acetamido-[2-(3-phenoxyphenyl)ethoxy]phosphinate) is sourced from PubChem (CID 173007728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).