[[acetyl(phenylmethoxy)amino]-phenylmethyl]-methylphosphinic acid

C17H20NO4P — CID 15719300

IUPAC[[acetyl(phenylmethoxy)amino]-phenylmethyl]-methylphosphinic acid
SMILESCC(=O)N(OCc1ccccc1)C(c1ccccc1)P(C)(=O)O
InChIInChI=1S/C17H20NO4P/c1-14(19)18(22-13-15-9-5-3-6-10-15)17(23(2,20)21)16-11-7-4-8-12-16/h3-12,17H,13H2,1-2H3,(H,20,21)
InChIKeyDYFLGGLEQJMIDB-UHFFFAOYSA-N
MW333.32 g/mol
LogP3.57
Rot. Bonds6

About [[acetyl(phenylmethoxy)amino]-phenylmethyl]-methylphosphinic acid

[[acetyl(phenylmethoxy)amino]-phenylmethyl]-methylphosphinic acid (PubChem CID 15719300) has the molecular formula C17H20NO4P and a molecular weight of 333.32 g/mol. Its IUPAC name is [[acetyl(phenylmethoxy)amino]-phenylmethyl]-methylphosphinic acid.

Molecular Properties

Compound Name[[acetyl(phenylmethoxy)amino]-phenylmethyl]-methylphosphinic acid
PubChem CID15719300
Molecular FormulaC17H20NO4P
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Name[[acetyl(phenylmethoxy)amino]-phenylmethyl]-methylphosphinic acid
SMILESCC(=O)N(OCc1ccccc1)C(c1ccccc1)P(C)(=O)O
InChIInChI=1S/C17H20NO4P/c1-14(19)18(22-13-15-9-5-3-6-10-15)17(23(2,20)21)16-11-7-4-8-12-16/h3-12,17H,13H2,1-2H3,(H,20,21)
InChIKeyDYFLGGLEQJMIDB-UHFFFAOYSA-N
XLogP3.57
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 173249339
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[(2S)-1-oxo-1-(2-phosphonoethylamino)propan-2-yl]-phenylmethoxycarbamic acid
CID 91595643
tert-butyl N-[(1S)-3-oxo-1-phenylbutyl]-N-phenylmethoxycarbamate
CID 102479343
N-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide
CID 174340138
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
3-[acetyl(phenylmethoxy)amino]propanoic acid
CID 10060062
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
methyl-(2-methyl-3,4-dioxo-4-phenylmethoxybutyl)phosphinic acid
CID 59235825
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
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CID 175214238
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CID 174787824

Frequently Asked Questions

What is the IUPAC name of [[acetyl(phenylmethoxy)amino]-phenylmethyl]-methylphosphinic acid?
The IUPAC name of [[acetyl(phenylmethoxy)amino]-phenylmethyl]-methylphosphinic acid (CID 15719300) is [[acetyl(phenylmethoxy)amino]-phenylmethyl]-methylphosphinic acid.
What is the SMILES notation for [[acetyl(phenylmethoxy)amino]-phenylmethyl]-methylphosphinic acid?
The canonical SMILES for [[acetyl(phenylmethoxy)amino]-phenylmethyl]-methylphosphinic acid is CC(=O)N(OCc1ccccc1)C(c1ccccc1)P(C)(=O)O.
What is the InChIKey of [[acetyl(phenylmethoxy)amino]-phenylmethyl]-methylphosphinic acid?
The InChIKey is DYFLGGLEQJMIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20NO4P/c1-14(19)18(22-13-15-9-5-3-6-10-15)17(23(2,20)21)16-11-7-4-8-12-16/h3-12,17H,13H2,1-2H3,(H,20,21).
What are the key properties of [[acetyl(phenylmethoxy)amino]-phenylmethyl]-methylphosphinic acid?
[[acetyl(phenylmethoxy)amino]-phenylmethyl]-methylphosphinic acid has a molecular weight of 333.32 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[acetyl(phenylmethoxy)amino]-phenylmethyl]-methylphosphinic acid is sourced from PubChem (CID 15719300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).