N-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide

C26H30NO3P — CID 15882211

IUPACN-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCCOP(=O)(c1ccccc1)C(Cc1ccc(C(C)C)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C26H30NO3P/c1-4-30-31(29,24-13-9-6-10-14-24)25(27-26(28)23-11-7-5-8-12-23)19-21-15-17-22(18-16-21)20(2)3/h5-18,20,25H,4,19H2,1-3H3,(H,27,28)
InChIKeyZLLCJAZZORCVHG-UHFFFAOYSA-N
MW435.50 g/mol
LogP5.75
Rot. Bonds9

About N-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide

N-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide (PubChem CID 15882211) has the molecular formula C26H30NO3P and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide
PubChem CID15882211
Molecular FormulaC26H30NO3P
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC NameN-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCCOP(=O)(c1ccccc1)C(Cc1ccc(C(C)C)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C26H30NO3P/c1-4-30-31(29,24-13-9-6-10-14-24)25(27-26(28)23-11-7-5-8-12-23)19-21-15-17-22(18-16-21)20(2)3/h5-18,20,25H,4,19H2,1-3H3,(H,27,28)
InChIKeyZLLCJAZZORCVHG-UHFFFAOYSA-N
XLogP5.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.50
LogP ≤ 55.75
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-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide
CID 11784176
N-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide
CID 10915868
N-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide
CID 100927094
N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 4837318
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452902
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452904
(2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one
CID 11861697
1-[ethoxy(phenyl)phosphoryl]ethylbenzene
CID 11778094
1-[ethoxy(phenyl)phosphoryl]-3-methyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 101246297
N-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 100927098
N-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 2452944

Frequently Asked Questions

What is the IUPAC name of N-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide?
The IUPAC name of N-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide (CID 15882211) is N-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide.
What is the SMILES notation for N-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide?
The canonical SMILES for N-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide is CCOP(=O)(c1ccccc1)C(Cc1ccc(C(C)C)cc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide?
The InChIKey is ZLLCJAZZORCVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30NO3P/c1-4-30-31(29,24-13-9-6-10-14-24)25(27-26(28)23-11-7-5-8-12-23)19-21-15-17-22(18-16-21)20(2)3/h5-18,20,25H,4,19H2,1-3H3,(H,27,28).
What are the key properties of N-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide?
N-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide has a molecular weight of 435.50 g/mol, XLogP of 5.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 15882211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).