N-(1-diphenylphosphoryl-2,2-dimethylpropyl)acetamide

C19H24NO2P — CID 4103286

IUPACN-(1-diphenylphosphoryl-2,2-dimethylpropyl)acetamide
SMILESCC(=O)NC(C(C)(C)C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NO2P/c1-15(21)20-18(19(2,3)4)23(22,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,1-4H3,(H,20,21)
InChIKeyQIYHAGCVVLIXSX-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.51
Rot. Bonds4

About N-(1-diphenylphosphoryl-2,2-dimethylpropyl)acetamide

N-(1-diphenylphosphoryl-2,2-dimethylpropyl)acetamide (PubChem CID 4103286) has the molecular formula C19H24NO2P and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(1-diphenylphosphoryl-2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound NameN-(1-diphenylphosphoryl-2,2-dimethylpropyl)acetamide
PubChem CID4103286
Molecular FormulaC19H24NO2P
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-(1-diphenylphosphoryl-2,2-dimethylpropyl)acetamide
SMILESCC(=O)NC(C(C)(C)C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NO2P/c1-15(21)20-18(19(2,3)4)23(22,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,1-4H3,(H,20,21)
InChIKeyQIYHAGCVVLIXSX-UHFFFAOYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-diphenylphosphoryl-2,2-dimethylpropyl)acetamide?
The IUPAC name of N-(1-diphenylphosphoryl-2,2-dimethylpropyl)acetamide (CID 4103286) is N-(1-diphenylphosphoryl-2,2-dimethylpropyl)acetamide.
What is the SMILES notation for N-(1-diphenylphosphoryl-2,2-dimethylpropyl)acetamide?
The canonical SMILES for N-(1-diphenylphosphoryl-2,2-dimethylpropyl)acetamide is CC(=O)NC(C(C)(C)C)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1-diphenylphosphoryl-2,2-dimethylpropyl)acetamide?
The InChIKey is QIYHAGCVVLIXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24NO2P/c1-15(21)20-18(19(2,3)4)23(22,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,1-4H3,(H,20,21).
What are the key properties of N-(1-diphenylphosphoryl-2,2-dimethylpropyl)acetamide?
N-(1-diphenylphosphoryl-2,2-dimethylpropyl)acetamide has a molecular weight of 329.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-diphenylphosphoryl-2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 4103286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).