2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid

C17H23N2O7P — CID 134110040

IUPAC2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid
SMILESCOc1ccccc1OCC(=O)N(C)CCc1ccccn1.O=P(O)(O)O
InChIInChI=1S/C17H20N2O3.H3O4P/c1-19(12-10-14-7-5-6-11-18-14)17(20)13-22-16-9-4-3-8-15(16)21-2;1-5(2,3)4/h3-9,11H,10,12-13H2,1-2H3;(H3,1,2,3,4)
InChIKeyUFBNCHKSLGFJNU-UHFFFAOYSA-N
MW398.35 g/mol
LogP1.24
Rot. Bonds7

About 2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid

2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid (PubChem CID 134110040) has the molecular formula C17H23N2O7P and a molecular weight of 398.35 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid
PubChem CID134110040
Molecular FormulaC17H23N2O7P
Molecular Weight398.35 g/mol
Exact Mass398.12
IUPAC Name2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid
SMILESCOc1ccccc1OCC(=O)N(C)CCc1ccccn1.O=P(O)(O)O
InChIInChI=1S/C17H20N2O3.H3O4P/c1-19(12-10-14-7-5-6-11-18-14)17(20)13-22-16-9-4-3-8-15(16)21-2;1-5(2,3)4/h3-9,11H,10,12-13H2,1-2H3;(H3,1,2,3,4)
InChIKeyUFBNCHKSLGFJNU-UHFFFAOYSA-N
XLogP1.24
TPSA129.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.35
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 16612937
2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 134017563
4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43240316
(Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide
CID 98289260
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43156182
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
2-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 110935205
2-(2-acetamidophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7873862
phenyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate
CID 60681158
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
8-methoxy-N-methyl-N-(2-pyridin-2-ylethyl)-2H-chromene-3-carboxamide
CID 60616153

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid?
The IUPAC name of 2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid (CID 134110040) is 2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid is COc1ccccc1OCC(=O)N(C)CCc1ccccn1.O=P(O)(O)O.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid?
The InChIKey is UFBNCHKSLGFJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3.H3O4P/c1-19(12-10-14-7-5-6-11-18-14)17(20)13-22-16-9-4-3-8-15(16)21-2;1-5(2,3)4/h3-9,11H,10,12-13H2,1-2H3;(H3,1,2,3,4).
What are the key properties of 2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid?
2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid has a molecular weight of 398.35 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid is sourced from PubChem (CID 134110040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).