2-(1-diethylphosphoryloxy-2-phenylethyl)benzamide

C19H24NO3P — CID 146295279

IUPAC2-(1-diethylphosphoryloxy-2-phenylethyl)benzamide
SMILESCCP(=O)(CC)OC(Cc1ccccc1)c1ccccc1C(N)=O
InChIInChI=1S/C19H24NO3P/c1-3-24(22,4-2)23-18(14-15-10-6-5-7-11-15)16-12-8-9-13-17(16)19(20)21/h5-13,18H,3-4,14H2,1-2H3,(H2,20,21)
InChIKeyKRUOOGVUFCPMQP-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.40
Rot. Bonds8

About 2-(1-diethylphosphoryloxy-2-phenylethyl)benzamide

2-(1-diethylphosphoryloxy-2-phenylethyl)benzamide (PubChem CID 146295279) has the molecular formula C19H24NO3P and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-(1-diethylphosphoryloxy-2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-(1-diethylphosphoryloxy-2-phenylethyl)benzamide
PubChem CID146295279
Molecular FormulaC19H24NO3P
Molecular Weight345.38 g/mol
Exact Mass345.15
IUPAC Name2-(1-diethylphosphoryloxy-2-phenylethyl)benzamide
SMILESCCP(=O)(CC)OC(Cc1ccccc1)c1ccccc1C(N)=O
InChIInChI=1S/C19H24NO3P/c1-3-24(22,4-2)23-18(14-15-10-6-5-7-11-15)16-12-8-9-13-17(16)19(20)21/h5-13,18H,3-4,14H2,1-2H3,(H2,20,21)
InChIKeyKRUOOGVUFCPMQP-UHFFFAOYSA-N
XLogP4.40
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-diethylphosphoryloxy-2-phenylethyl)benzamide?
The IUPAC name of 2-(1-diethylphosphoryloxy-2-phenylethyl)benzamide (CID 146295279) is 2-(1-diethylphosphoryloxy-2-phenylethyl)benzamide.
What is the SMILES notation for 2-(1-diethylphosphoryloxy-2-phenylethyl)benzamide?
The canonical SMILES for 2-(1-diethylphosphoryloxy-2-phenylethyl)benzamide is CCP(=O)(CC)OC(Cc1ccccc1)c1ccccc1C(N)=O.
What is the InChIKey of 2-(1-diethylphosphoryloxy-2-phenylethyl)benzamide?
The InChIKey is KRUOOGVUFCPMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24NO3P/c1-3-24(22,4-2)23-18(14-15-10-6-5-7-11-15)16-12-8-9-13-17(16)19(20)21/h5-13,18H,3-4,14H2,1-2H3,(H2,20,21).
What are the key properties of 2-(1-diethylphosphoryloxy-2-phenylethyl)benzamide?
2-(1-diethylphosphoryloxy-2-phenylethyl)benzamide has a molecular weight of 345.38 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-diethylphosphoryloxy-2-phenylethyl)benzamide is sourced from PubChem (CID 146295279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).