(4-acetamidophenyl)methyl-[(1S)-1-phenylethoxy]phosphinate

C17H19NO4P- — CID 5289359

IUPAC(4-acetamidophenyl)methyl-[(1S)-1-phenylethoxy]phosphinate
SMILESCC(=O)Nc1ccc(CP(=O)([O-])O[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C17H20NO4P/c1-13(16-6-4-3-5-7-16)22-23(20,21)12-15-8-10-17(11-9-15)18-14(2)19/h3-11,13H,12H2,1-2H3,(H,18,19)(H,20,21)/p-1/t13-/m0/s1
InChIKeyYPTMOJMDCPUCJT-ZDUSSCGKSA-M
MW332.32 g/mol
LogP3.48
Rot. Bonds6

About (4-acetamidophenyl)methyl-[(1S)-1-phenylethoxy]phosphinate

(4-acetamidophenyl)methyl-[(1S)-1-phenylethoxy]phosphinate (PubChem CID 5289359) has the molecular formula C17H19NO4P- and a molecular weight of 332.32 g/mol. Its IUPAC name is (4-acetamidophenyl)methyl-[(1S)-1-phenylethoxy]phosphinate.

Molecular Properties

Compound Name(4-acetamidophenyl)methyl-[(1S)-1-phenylethoxy]phosphinate
PubChem CID5289359
Molecular FormulaC17H19NO4P-
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Name(4-acetamidophenyl)methyl-[(1S)-1-phenylethoxy]phosphinate
SMILESCC(=O)Nc1ccc(CP(=O)([O-])O[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C17H20NO4P/c1-13(16-6-4-3-5-7-16)22-23(20,21)12-15-8-10-17(11-9-15)18-14(2)19/h3-11,13H,12H2,1-2H3,(H,18,19)(H,20,21)/p-1/t13-/m0/s1
InChIKeyYPTMOJMDCPUCJT-ZDUSSCGKSA-M
XLogP3.48
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[[hydroxy(1-phenylethoxy)phosphoryl]methyl]anilino]-5-oxopentanoic acid
CID 102094096
(4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium
CID 7160969
[2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 8578956
N-[4-(2-amino-2-phenylethyl)phenyl]acetamide
CID 62719671
N-[4-[(benzhydrylamino)methyl]phenyl]acetamide
CID 27654523
[2-(4-acetamidoanilino)-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773183
(4-acetamidophenyl)methyl [(1S,2R)-2-amino-1-phenylpropyl] carbonate
CID 58680700
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide
CID 62049518
2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid
CID 108804747
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8611777

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl)methyl-[(1S)-1-phenylethoxy]phosphinate?
The IUPAC name of (4-acetamidophenyl)methyl-[(1S)-1-phenylethoxy]phosphinate (CID 5289359) is (4-acetamidophenyl)methyl-[(1S)-1-phenylethoxy]phosphinate.
What is the SMILES notation for (4-acetamidophenyl)methyl-[(1S)-1-phenylethoxy]phosphinate?
The canonical SMILES for (4-acetamidophenyl)methyl-[(1S)-1-phenylethoxy]phosphinate is CC(=O)Nc1ccc(CP(=O)([O-])O[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of (4-acetamidophenyl)methyl-[(1S)-1-phenylethoxy]phosphinate?
The InChIKey is YPTMOJMDCPUCJT-ZDUSSCGKSA-M. The full InChI is InChI=1S/C17H20NO4P/c1-13(16-6-4-3-5-7-16)22-23(20,21)12-15-8-10-17(11-9-15)18-14(2)19/h3-11,13H,12H2,1-2H3,(H,18,19)(H,20,21)/p-1/t13-/m0/s1.
What are the key properties of (4-acetamidophenyl)methyl-[(1S)-1-phenylethoxy]phosphinate?
(4-acetamidophenyl)methyl-[(1S)-1-phenylethoxy]phosphinate has a molecular weight of 332.32 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl)methyl-[(1S)-1-phenylethoxy]phosphinate is sourced from PubChem (CID 5289359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).