2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide

C14H22NO5P — CID 141034258

IUPAC2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCOP(=O)(CC(=O)NCc1ccccc1OC)OCC
InChIInChI=1S/C14H22NO5P/c1-4-19-21(17,20-5-2)11-14(16)15-10-12-8-6-7-9-13(12)18-3/h6-9H,4-5,10-11H2,1-3H3,(H,15,16)
InChIKeyWCDZALZTZVKBNP-UHFFFAOYSA-N
MW315.31 g/mol
LogP2.58
Rot. Bonds9

About 2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide

2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 141034258) has the molecular formula C14H22NO5P and a molecular weight of 315.31 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID141034258
Molecular FormulaC14H22NO5P
Molecular Weight315.31 g/mol
Exact Mass315.12
IUPAC Name2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCOP(=O)(CC(=O)NCc1ccccc1OC)OCC
InChIInChI=1S/C14H22NO5P/c1-4-19-21(17,20-5-2)11-14(16)15-10-12-8-6-7-9-13(12)18-3/h6-9H,4-5,10-11H2,1-3H3,(H,15,16)
InChIKeyWCDZALZTZVKBNP-UHFFFAOYSA-N
XLogP2.58
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2709267
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992730
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 110771215
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
2-anilino-N-[(2-methoxyphenyl)methyl]acetamide
CID 60646954
2-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78907392
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide (CID 141034258) is 2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide is CCOP(=O)(CC(=O)NCc1ccccc1OC)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is WCDZALZTZVKBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO5P/c1-4-19-21(17,20-5-2)11-14(16)15-10-12-8-6-7-9-13(12)18-3/h6-9H,4-5,10-11H2,1-3H3,(H,15,16).
What are the key properties of 2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide?
2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 315.31 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 141034258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).