[2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate

C12H17N2O7P — CID 170392422

IUPAC[2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate
SMILESCOCC(=O)Nc1ccc(NC(=O)COP(=O)(O)OC)cc1
InChIInChI=1S/C12H17N2O7P/c1-19-7-11(15)13-9-3-5-10(6-4-9)14-12(16)8-21-22(17,18)20-2/h3-6H,7-8H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyWNGDYEWAMGQEBE-UHFFFAOYSA-N
MW332.25 g/mol
LogP0.97
Rot. Bonds8

About [2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate

[2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate (PubChem CID 170392422) has the molecular formula C12H17N2O7P and a molecular weight of 332.25 g/mol. Its IUPAC name is [2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate.

Molecular Properties

Compound Name[2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate
PubChem CID170392422
Molecular FormulaC12H17N2O7P
Molecular Weight332.25 g/mol
Exact Mass332.08
IUPAC Name[2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate
SMILESCOCC(=O)Nc1ccc(NC(=O)COP(=O)(O)OC)cc1
InChIInChI=1S/C12H17N2O7P/c1-19-7-11(15)13-9-3-5-10(6-4-9)14-12(16)8-21-22(17,18)20-2/h3-6H,7-8H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyWNGDYEWAMGQEBE-UHFFFAOYSA-N
XLogP0.97
TPSA123.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
N-(4-hydrazinylphenyl)-2-methoxyacetamide
CID 141361616
N-[4-(hydroxymethyl)phenyl]-2-methoxyacetamide
CID 64794296
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
4-[(2-methoxyacetyl)amino]-N-phenylbenzamide
CID 138999243
2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide
CID 177288026
ethane;2-methoxy-N-phenylacetamide;yttrium
CID 159976159
2-(tert-butylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 47842254
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide
CID 42948482
2-bromo-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 114014349
2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224391
2-[4-[(2-methoxyacetyl)amino]phenoxy]acetamide
CID 47156560

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate?
The IUPAC name of [2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate (CID 170392422) is [2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate.
What is the SMILES notation for [2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate?
The canonical SMILES for [2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate is COCC(=O)Nc1ccc(NC(=O)COP(=O)(O)OC)cc1.
What is the InChIKey of [2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate?
The InChIKey is WNGDYEWAMGQEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N2O7P/c1-19-7-11(15)13-9-3-5-10(6-4-9)14-12(16)8-21-22(17,18)20-2/h3-6H,7-8H2,1-2H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of [2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate?
[2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate has a molecular weight of 332.25 g/mol, XLogP of 0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate is sourced from PubChem (CID 170392422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).