N-tert-butyl-1-diphenylphosphorylformamide

C17H20NO2P — CID 2776626

IUPACN-tert-butyl-1-diphenylphosphorylformamide
SMILESCC(C)(C)NC(=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20NO2P/c1-17(2,3)18-16(19)21(20,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,18,19)
InChIKeyNRGIBYDTXTXTQJ-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.51
Rot. Bonds3

About N-tert-butyl-1-diphenylphosphorylformamide

N-tert-butyl-1-diphenylphosphorylformamide (PubChem CID 2776626) has the molecular formula C17H20NO2P and a molecular weight of 301.33 g/mol. Its IUPAC name is N-tert-butyl-1-diphenylphosphorylformamide.

Molecular Properties

Compound NameN-tert-butyl-1-diphenylphosphorylformamide
PubChem CID2776626
Molecular FormulaC17H20NO2P
Molecular Weight301.33 g/mol
Exact Mass301.12
IUPAC NameN-tert-butyl-1-diphenylphosphorylformamide
SMILESCC(C)(C)NC(=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20NO2P/c1-17(2,3)18-16(19)21(20,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,18,19)
InChIKeyNRGIBYDTXTXTQJ-UHFFFAOYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
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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Related Compounds

n-Tert-butyl-p,p-diphenylphosphinous amide
CID 266993
(Diphenylphosphoryl)methyl (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
CID 1935289
N-((Diphenylphosphoryl)methyl)acetamide
CID 13736987
N-(2-diphenylphosphorylethyl)-2-methylpropan-2-amine
CID 15502817
1-diphenylphosphoryl-N-propan-2-ylformamide
CID 102109425
(Diethyl-aminomethyl)diphenylphosphine oxide
CID 129803613
N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide
CID 10916578
1-Diphenylphosphoryl-2-methylbutan-2-amine
CID 11659252
N-[(E)-1-diphenylphosphorylprop-1-en-2-yl]-2-methylpropan-2-amine
CID 15533810
N-[(Z)-1-diphenylphosphorylprop-1-en-2-yl]-2-methylpropan-2-amine
CID 57752106
N-(2-triphenylphosphaniumylpropan-2-yl)carbamate
CID 87278544
2-(Carboxyamino)propan-2-yl-triphenylphosphanium
CID 87278545

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-diphenylphosphorylformamide?
The IUPAC name of N-tert-butyl-1-diphenylphosphorylformamide (CID 2776626) is N-tert-butyl-1-diphenylphosphorylformamide.
What is the SMILES notation for N-tert-butyl-1-diphenylphosphorylformamide?
The canonical SMILES for N-tert-butyl-1-diphenylphosphorylformamide is CC(C)(C)NC(=O)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-tert-butyl-1-diphenylphosphorylformamide?
The InChIKey is NRGIBYDTXTXTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20NO2P/c1-17(2,3)18-16(19)21(20,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-1-diphenylphosphorylformamide?
N-tert-butyl-1-diphenylphosphorylformamide has a molecular weight of 301.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-diphenylphosphorylformamide is sourced from PubChem (CID 2776626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).