N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide

C23H24NO3P — CID 11784176

IUPACN-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide
SMILESCCOP(=O)(c1ccccc1)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C23H24NO3P/c1-2-27-28(26,21-16-10-5-11-17-21)22(18-19-12-6-3-7-13-19)24-23(25)20-14-8-4-9-15-20/h3-17,22H,2,18H2,1H3,(H,24,25)/t22-,28?/m0/s1
InChIKeyJGKCNXISPJOJHO-XYXHBKGXSA-N
MW393.42 g/mol
LogP4.63
Rot. Bonds8

About N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide

N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide (PubChem CID 11784176) has the molecular formula C23H24NO3P and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide
PubChem CID11784176
Molecular FormulaC23H24NO3P
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC NameN-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide
SMILESCCOP(=O)(c1ccccc1)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C23H24NO3P/c1-2-27-28(26,21-16-10-5-11-17-21)22(18-19-12-6-3-7-13-19)24-23(25)20-14-8-4-9-15-20/h3-17,22H,2,18H2,1H3,(H,24,25)/t22-,28?/m0/s1
InChIKeyJGKCNXISPJOJHO-XYXHBKGXSA-N
XLogP4.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.63
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

N-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 15882211
N-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide
CID 10915868
(2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one
CID 11861697
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
N-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide
CID 100927094
tert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate
CID 10570312
N-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 100927098
N-(1-diethoxyphosphoryl-3-oxopent-4-enyl)benzamide
CID 14790029
N-[(1S)-1-diethoxyphosphoryl-2-oxoethyl]benzamide
CID 40537671
N-[1-dimethoxyphosphoryl-2-(4-nitrophenyl)ethyl]benzamide
CID 85367009
2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol
CID 46220815
N-[(2R)-1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 40631438

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide?
The IUPAC name of N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide (CID 11784176) is N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide.
What is the SMILES notation for N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide?
The canonical SMILES for N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide is CCOP(=O)(c1ccccc1)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide?
The InChIKey is JGKCNXISPJOJHO-XYXHBKGXSA-N. The full InChI is InChI=1S/C23H24NO3P/c1-2-27-28(26,21-16-10-5-11-17-21)22(18-19-12-6-3-7-13-19)24-23(25)20-14-8-4-9-15-20/h3-17,22H,2,18H2,1H3,(H,24,25)/t22-,28?/m0/s1.
What are the key properties of N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide?
N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide has a molecular weight of 393.42 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide is sourced from PubChem (CID 11784176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).