2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide

C14H22NO5P — CID 101352571

IUPAC2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide
SMILESCCOP(=O)(CC(=O)N(C)c1cccc(OC)c1)OCC
InChIInChI=1S/C14H22NO5P/c1-5-19-21(17,20-6-2)11-14(16)15(3)12-8-7-9-13(10-12)18-4/h7-10H,5-6,11H2,1-4H3
InChIKeyLQFFZSQKKQHHDZ-UHFFFAOYSA-N
MW315.31 g/mol
LogP2.92
Rot. Bonds8

About 2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide

2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide (PubChem CID 101352571) has the molecular formula C14H22NO5P and a molecular weight of 315.31 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide
PubChem CID101352571
Molecular FormulaC14H22NO5P
Molecular Weight315.31 g/mol
Exact Mass315.12
IUPAC Name2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide
SMILESCCOP(=O)(CC(=O)N(C)c1cccc(OC)c1)OCC
InChIInChI=1S/C14H22NO5P/c1-5-19-21(17,20-6-2)11-14(16)15(3)12-8-7-9-13(10-12)18-4/h7-10H,5-6,11H2,1-4H3
InChIKeyLQFFZSQKKQHHDZ-UHFFFAOYSA-N
XLogP2.92
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
2-(2-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylacetamide
CID 80740880
N-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107027625
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide
CID 64593233
propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate
CID 116655313
3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide
CID 100772639
1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one
CID 115938973
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide
CID 104678092
3-(3-methoxy-N-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821580

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide (CID 101352571) is 2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide is CCOP(=O)(CC(=O)N(C)c1cccc(OC)c1)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide?
The InChIKey is LQFFZSQKKQHHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO5P/c1-5-19-21(17,20-6-2)11-14(16)15(3)12-8-7-9-13(10-12)18-4/h7-10H,5-6,11H2,1-4H3.
What are the key properties of 2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide?
2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide has a molecular weight of 315.31 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 101352571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).