N-[1-dimethoxyphosphoryl-2-(4-methoxyphenyl)-2-oxoethyl]acetamide

C13H18NO6P — CID 135086403

IUPACN-[1-dimethoxyphosphoryl-2-(4-methoxyphenyl)-2-oxoethyl]acetamide
SMILESCOc1ccc(C(=O)C(NC(C)=O)P(=O)(OC)OC)cc1
InChIInChI=1S/C13H18NO6P/c1-9(15)14-13(21(17,19-3)20-4)12(16)10-5-7-11(18-2)8-6-10/h5-8,13H,1-4H3,(H,14,15)
InChIKeyFXANEJVEFOUTML-UHFFFAOYSA-N
MW315.26 g/mol
LogP1.83
Rot. Bonds7

About N-[1-dimethoxyphosphoryl-2-(4-methoxyphenyl)-2-oxoethyl]acetamide

N-[1-dimethoxyphosphoryl-2-(4-methoxyphenyl)-2-oxoethyl]acetamide (PubChem CID 135086403) has the molecular formula C13H18NO6P and a molecular weight of 315.26 g/mol. Its IUPAC name is N-[1-dimethoxyphosphoryl-2-(4-methoxyphenyl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[1-dimethoxyphosphoryl-2-(4-methoxyphenyl)-2-oxoethyl]acetamide
PubChem CID135086403
Molecular FormulaC13H18NO6P
Molecular Weight315.26 g/mol
Exact Mass315.09
IUPAC NameN-[1-dimethoxyphosphoryl-2-(4-methoxyphenyl)-2-oxoethyl]acetamide
SMILESCOc1ccc(C(=O)C(NC(C)=O)P(=O)(OC)OC)cc1
InChIInChI=1S/C13H18NO6P/c1-9(15)14-13(21(17,19-3)20-4)12(16)10-5-7-11(18-2)8-6-10/h5-8,13H,1-4H3,(H,14,15)
InChIKeyFXANEJVEFOUTML-UHFFFAOYSA-N
XLogP1.83
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-dimethoxyphosphoryl-2-(4-methoxyphenyl)-2-oxoethyl]acetamide 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

2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
[1-dimethoxyphosphoryl-2-[(4-methoxyphenyl)methoxy]-2-oxoethyl]carbamothioic S-acid
CID 88836181
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
(2R)-2-hydroxy-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-one
CID 11424975
(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one
CID 51371469
sodium;2,2-dihydroxy-1-(4-methoxyphenyl)ethanone;hydride
CID 173420090
ethyl 2-acetamido-2-dimethoxyphosphorylacetate
CID 66524865
methyl (2S)-2-chloro-3-(4-methoxyphenyl)-3-oxopropanoate
CID 98701330
1-(4-methoxyphenyl)-2-methylsulfonylpropan-1-one
CID 62786269
[(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate
CID 11323292
4-(4-methoxyphenyl)-3-(methylamino)-4-oxobutanoic acid
CID 82322522
1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one
CID 64640564

Frequently Asked Questions

What is the IUPAC name of N-[1-dimethoxyphosphoryl-2-(4-methoxyphenyl)-2-oxoethyl]acetamide?
The IUPAC name of N-[1-dimethoxyphosphoryl-2-(4-methoxyphenyl)-2-oxoethyl]acetamide (CID 135086403) is N-[1-dimethoxyphosphoryl-2-(4-methoxyphenyl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-[1-dimethoxyphosphoryl-2-(4-methoxyphenyl)-2-oxoethyl]acetamide?
The canonical SMILES for N-[1-dimethoxyphosphoryl-2-(4-methoxyphenyl)-2-oxoethyl]acetamide is COc1ccc(C(=O)C(NC(C)=O)P(=O)(OC)OC)cc1.
What is the InChIKey of N-[1-dimethoxyphosphoryl-2-(4-methoxyphenyl)-2-oxoethyl]acetamide?
The InChIKey is FXANEJVEFOUTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NO6P/c1-9(15)14-13(21(17,19-3)20-4)12(16)10-5-7-11(18-2)8-6-10/h5-8,13H,1-4H3,(H,14,15).
What are the key properties of N-[1-dimethoxyphosphoryl-2-(4-methoxyphenyl)-2-oxoethyl]acetamide?
N-[1-dimethoxyphosphoryl-2-(4-methoxyphenyl)-2-oxoethyl]acetamide has a molecular weight of 315.26 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-dimethoxyphosphoryl-2-(4-methoxyphenyl)-2-oxoethyl]acetamide is sourced from PubChem (CID 135086403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).