N-[2-(dimethoxyphosphorylmethyl)phenyl]acetamide

C11H16NO4P — CID 13270456

IUPACN-[2-(dimethoxyphosphorylmethyl)phenyl]acetamide
SMILESCOP(=O)(Cc1ccccc1NC(C)=O)OC
InChIInChI=1S/C11H16NO4P/c1-9(13)12-11-7-5-4-6-10(11)8-17(14,15-2)16-3/h4-7H,8H2,1-3H3,(H,12,13)
InChIKeyVXPWHSRKIONXPH-UHFFFAOYSA-N
MW257.23 g/mol
LogP2.63
Rot. Bonds5

About N-[2-(dimethoxyphosphorylmethyl)phenyl]acetamide

N-[2-(dimethoxyphosphorylmethyl)phenyl]acetamide (PubChem CID 13270456) has the molecular formula C11H16NO4P and a molecular weight of 257.23 g/mol. Its IUPAC name is N-[2-(dimethoxyphosphorylmethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethoxyphosphorylmethyl)phenyl]acetamide
PubChem CID13270456
Molecular FormulaC11H16NO4P
Molecular Weight257.23 g/mol
Exact Mass257.08
IUPAC NameN-[2-(dimethoxyphosphorylmethyl)phenyl]acetamide
SMILESCOP(=O)(Cc1ccccc1NC(C)=O)OC
InChIInChI=1S/C11H16NO4P/c1-9(13)12-11-7-5-4-6-10(11)8-17(14,15-2)16-3/h4-7H,8H2,1-3H3,(H,12,13)
InChIKeyVXPWHSRKIONXPH-UHFFFAOYSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
2-(2-acetamidophenyl)ethanethioic S-acid
CID 21276599
N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide
CID 154198848
ethane;N-(2-propylphenyl)acetamide
CID 142804217
N-(2-prop-2-ynylphenyl)acetamide
CID 57178754
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
(2-acetamidophenyl)methanesulfinic acid
CID 135349764
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
2-(2-acetamidophenoxy)-N-(2-ethylphenyl)acetamide
CID 7867330

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethoxyphosphorylmethyl)phenyl]acetamide?
The IUPAC name of N-[2-(dimethoxyphosphorylmethyl)phenyl]acetamide (CID 13270456) is N-[2-(dimethoxyphosphorylmethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(dimethoxyphosphorylmethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(dimethoxyphosphorylmethyl)phenyl]acetamide is COP(=O)(Cc1ccccc1NC(C)=O)OC.
What is the InChIKey of N-[2-(dimethoxyphosphorylmethyl)phenyl]acetamide?
The InChIKey is VXPWHSRKIONXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO4P/c1-9(13)12-11-7-5-4-6-10(11)8-17(14,15-2)16-3/h4-7H,8H2,1-3H3,(H,12,13).
What are the key properties of N-[2-(dimethoxyphosphorylmethyl)phenyl]acetamide?
N-[2-(dimethoxyphosphorylmethyl)phenyl]acetamide has a molecular weight of 257.23 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethoxyphosphorylmethyl)phenyl]acetamide is sourced from PubChem (CID 13270456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).