[2-[[2-[anilinomethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid

C12H18N3O5P — CID 142100346

IUPAC[2-[[2-[anilinomethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid
SMILESCP(=O)(O)CC(=O)NCC(=O)N(O)CNc1ccccc1
InChIInChI=1S/C12H18N3O5P/c1-21(19,20)8-11(16)13-7-12(17)15(18)9-14-10-5-3-2-4-6-10/h2-6,14,18H,7-9H2,1H3,(H,13,16)(H,19,20)
InChIKeyDGSZVNPGMNTMLZ-UHFFFAOYSA-N
MW315.27 g/mol
LogP0.29
Rot. Bonds7

About [2-[[2-[anilinomethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid

[2-[[2-[anilinomethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid (PubChem CID 142100346) has the molecular formula C12H18N3O5P and a molecular weight of 315.27 g/mol. Its IUPAC name is [2-[[2-[anilinomethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid.

Molecular Properties

Compound Name[2-[[2-[anilinomethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid
PubChem CID142100346
Molecular FormulaC12H18N3O5P
Molecular Weight315.27 g/mol
Exact Mass315.10
IUPAC Name[2-[[2-[anilinomethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid
SMILESCP(=O)(O)CC(=O)NCC(=O)N(O)CNc1ccccc1
InChIInChI=1S/C12H18N3O5P/c1-21(19,20)8-11(16)13-7-12(17)15(18)9-14-10-5-3-2-4-6-10/h2-6,14,18H,7-9H2,1H3,(H,13,16)(H,19,20)
InChIKeyDGSZVNPGMNTMLZ-UHFFFAOYSA-N
XLogP0.29
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 60671281
2-anilino-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 119689818
N-(anilinomethyl)-N-methylacetamide
CID 102126839
2-[anilinomethyl(methyl)amino]-N,N-dimethylacetamide
CID 141036638
2-diethoxyphosphoryl-N-phenylacetamide
CID 12520780
2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427
potassium;sodium;2-anilinoacetic acid;hydride
CID 174390322
N-[2-(dipropylamino)-2-oxoethyl]-2-phenylacetamide
CID 78784642
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride
CID 119727871
2-[(2-dimethylphosphorylacetyl)amino]-N-hydroxy-N-propan-2-ylacetamide;ethane
CID 142100543
2-anilino-N-(3-methylbut-2-enyl)acetamide
CID 106186880

Frequently Asked Questions

What is the IUPAC name of [2-[[2-[anilinomethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid?
The IUPAC name of [2-[[2-[anilinomethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid (CID 142100346) is [2-[[2-[anilinomethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid.
What is the SMILES notation for [2-[[2-[anilinomethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid?
The canonical SMILES for [2-[[2-[anilinomethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid is CP(=O)(O)CC(=O)NCC(=O)N(O)CNc1ccccc1.
What is the InChIKey of [2-[[2-[anilinomethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid?
The InChIKey is DGSZVNPGMNTMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N3O5P/c1-21(19,20)8-11(16)13-7-12(17)15(18)9-14-10-5-3-2-4-6-10/h2-6,14,18H,7-9H2,1H3,(H,13,16)(H,19,20).
What are the key properties of [2-[[2-[anilinomethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid?
[2-[[2-[anilinomethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid has a molecular weight of 315.27 g/mol, XLogP of 0.29, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-[anilinomethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid is sourced from PubChem (CID 142100346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).