sodium [4-[3-(3-acetamidophenyl)-3-oxopropyl]phenyl] phenyl phosphate

C23H21NNaO6P — CID 23708370

IUPACsodium [4-[3-(3-acetamidophenyl)-3-oxopropyl]phenyl] phenyl phosphate
SMILESCC(=O)Nc1cccc(C(=O)CCc2ccc(OP(=O)([O-])Oc3ccccc3)cc2)c1.[Na+]
InChIInChI=1S/C23H22NO6P.Na/c1-17(25)24-20-7-5-6-19(16-20)23(26)15-12-18-10-13-22(14-11-18)30-31(27,28)29-21-8-3-2-4-9-21;/h2-11,13-14,16H,12,15H2,1H3,(H,24,25)(H,27,28);/q;+1/p-1
InChIKeyXXYAJHJRDUZZEJ-UHFFFAOYSA-M
MW461.39 g/mol
LogP1.39
Rot. Bonds9

About sodium [4-[3-(3-acetamidophenyl)-3-oxopropyl]phenyl] phenyl phosphate

sodium [4-[3-(3-acetamidophenyl)-3-oxopropyl]phenyl] phenyl phosphate (PubChem CID 23708370) has the molecular formula C23H21NNaO6P and a molecular weight of 461.39 g/mol. Its IUPAC name is sodium [4-[3-(3-acetamidophenyl)-3-oxopropyl]phenyl] phenyl phosphate.

Molecular Properties

Compound Namesodium [4-[3-(3-acetamidophenyl)-3-oxopropyl]phenyl] phenyl phosphate
PubChem CID23708370
Molecular FormulaC23H21NNaO6P
Molecular Weight461.39 g/mol
Exact Mass461.10
IUPAC Namesodium [4-[3-(3-acetamidophenyl)-3-oxopropyl]phenyl] phenyl phosphate
SMILESCC(=O)Nc1cccc(C(=O)CCc2ccc(OP(=O)([O-])Oc3ccccc3)cc2)c1.[Na+]
InChIInChI=1S/C23H22NO6P.Na/c1-17(25)24-20-7-5-6-19(16-20)23(26)15-12-18-10-13-22(14-11-18)30-31(27,28)29-21-8-3-2-4-9-21;/h2-11,13-14,16H,12,15H2,1H3,(H,24,25)(H,27,28);/q;+1/p-1
InChIKeyXXYAJHJRDUZZEJ-UHFFFAOYSA-M
XLogP1.39
TPSA104.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze sodium [4-[3-(3-acetamidophenyl)-3-oxopropyl]phenyl] phenyl phosphate 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

N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
(4-methylphenyl) [4-(3-oxo-3-phenylpropyl)phenyl] hydrogen phosphate
CID 21410631
3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214
4-[3-[3-[[3-[3-(4-carboxyphenyl)propanoyl]phenoxy]-hydroxyphosphoryl]oxyphenyl]-3-oxopropyl]benzoic acid
CID 21499373
3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 17439563
(4-aminophenyl) [4-(3-oxo-3-phenylpropyl)phenyl] hydrogen phosphate
CID 21410591
N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide
CID 17418766
(2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 51906069
[3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108927930
[3-[[3-(3-phenylpropanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927865
N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 31287562
N-[3-(2-aminoacetyl)phenyl]acetamide
CID 23372958

Frequently Asked Questions

What is the IUPAC name of sodium [4-[3-(3-acetamidophenyl)-3-oxopropyl]phenyl] phenyl phosphate?
The IUPAC name of sodium [4-[3-(3-acetamidophenyl)-3-oxopropyl]phenyl] phenyl phosphate (CID 23708370) is sodium [4-[3-(3-acetamidophenyl)-3-oxopropyl]phenyl] phenyl phosphate.
What is the SMILES notation for sodium [4-[3-(3-acetamidophenyl)-3-oxopropyl]phenyl] phenyl phosphate?
The canonical SMILES for sodium [4-[3-(3-acetamidophenyl)-3-oxopropyl]phenyl] phenyl phosphate is CC(=O)Nc1cccc(C(=O)CCc2ccc(OP(=O)([O-])Oc3ccccc3)cc2)c1.[Na+].
What is the InChIKey of sodium [4-[3-(3-acetamidophenyl)-3-oxopropyl]phenyl] phenyl phosphate?
The InChIKey is XXYAJHJRDUZZEJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H22NO6P.Na/c1-17(25)24-20-7-5-6-19(16-20)23(26)15-12-18-10-13-22(14-11-18)30-31(27,28)29-21-8-3-2-4-9-21;/h2-11,13-14,16H,12,15H2,1H3,(H,24,25)(H,27,28);/q;+1/p-1.
What are the key properties of sodium [4-[3-(3-acetamidophenyl)-3-oxopropyl]phenyl] phenyl phosphate?
sodium [4-[3-(3-acetamidophenyl)-3-oxopropyl]phenyl] phenyl phosphate has a molecular weight of 461.39 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [4-[3-(3-acetamidophenyl)-3-oxopropyl]phenyl] phenyl phosphate is sourced from PubChem (CID 23708370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).