N-methyl-N-phenyl-(2-pyridin-2-ylethoxy)phosphonamidic acid

C14H17N2O3P — CID 130417323

IUPACN-methyl-N-phenyl-(2-pyridin-2-ylethoxy)phosphonamidic acid
SMILESCN(c1ccccc1)P(=O)(O)OCCc1ccccn1
InChIInChI=1S/C14H17N2O3P/c1-16(14-8-3-2-4-9-14)20(17,18)19-12-10-13-7-5-6-11-15-13/h2-9,11H,10,12H2,1H3,(H,17,18)
InChIKeySYUIGTCNBPZRPB-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.88
Rot. Bonds6

About N-methyl-N-phenyl-(2-pyridin-2-ylethoxy)phosphonamidic acid

N-methyl-N-phenyl-(2-pyridin-2-ylethoxy)phosphonamidic acid (PubChem CID 130417323) has the molecular formula C14H17N2O3P and a molecular weight of 292.28 g/mol. Its IUPAC name is N-methyl-N-phenyl-(2-pyridin-2-ylethoxy)phosphonamidic acid.

Molecular Properties

Compound NameN-methyl-N-phenyl-(2-pyridin-2-ylethoxy)phosphonamidic acid
PubChem CID130417323
Molecular FormulaC14H17N2O3P
Molecular Weight292.28 g/mol
Exact Mass292.10
IUPAC NameN-methyl-N-phenyl-(2-pyridin-2-ylethoxy)phosphonamidic acid
SMILESCN(c1ccccc1)P(=O)(O)OCCc1ccccn1
InChIInChI=1S/C14H17N2O3P/c1-16(14-8-3-2-4-9-14)20(17,18)19-12-10-13-7-5-6-11-15-13/h2-9,11H,10,12H2,1H3,(H,17,18)
InChIKeySYUIGTCNBPZRPB-UHFFFAOYSA-N
XLogP2.88
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethoxy(pyridin-2-ylmethyl)phosphinic acid
CID 86045425
N-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine
CID 19697050
[phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid
CID 15290103
2-(2-diethoxyphosphorylethyl)pyridine
CID 11128503
dihydrogen phosphate;2-(2-pyridin-1-ium-1-ylethyl)pyridine
CID 24844771
2-pyridin-2-ylethyl hydrogen sulfite
CID 57284965
dimethyl pyridin-2-ylmethyl phosphate
CID 11622628
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 102822634
4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 51164053
2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one
CID 43228048

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-(2-pyridin-2-ylethoxy)phosphonamidic acid?
The IUPAC name of N-methyl-N-phenyl-(2-pyridin-2-ylethoxy)phosphonamidic acid (CID 130417323) is N-methyl-N-phenyl-(2-pyridin-2-ylethoxy)phosphonamidic acid.
What is the SMILES notation for N-methyl-N-phenyl-(2-pyridin-2-ylethoxy)phosphonamidic acid?
The canonical SMILES for N-methyl-N-phenyl-(2-pyridin-2-ylethoxy)phosphonamidic acid is CN(c1ccccc1)P(=O)(O)OCCc1ccccn1.
What is the InChIKey of N-methyl-N-phenyl-(2-pyridin-2-ylethoxy)phosphonamidic acid?
The InChIKey is SYUIGTCNBPZRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N2O3P/c1-16(14-8-3-2-4-9-14)20(17,18)19-12-10-13-7-5-6-11-15-13/h2-9,11H,10,12H2,1H3,(H,17,18).
What are the key properties of N-methyl-N-phenyl-(2-pyridin-2-ylethoxy)phosphonamidic acid?
N-methyl-N-phenyl-(2-pyridin-2-ylethoxy)phosphonamidic acid has a molecular weight of 292.28 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-(2-pyridin-2-ylethoxy)phosphonamidic acid is sourced from PubChem (CID 130417323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).