1-diphenylphosphoryl-N-propan-2-ylformamide

C16H18NO2P — CID 102109425

IUPAC1-diphenylphosphoryl-N-propan-2-ylformamide
SMILESCC(C)NC(=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18NO2P/c1-13(2)17-16(18)20(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,17,18)
InChIKeyVBJPYEWBESWMBE-UHFFFAOYSA-N
MW287.30 g/mol
LogP3.12
Rot. Bonds4

About 1-diphenylphosphoryl-N-propan-2-ylformamide

1-diphenylphosphoryl-N-propan-2-ylformamide (PubChem CID 102109425) has the molecular formula C16H18NO2P and a molecular weight of 287.30 g/mol. Its IUPAC name is 1-diphenylphosphoryl-N-propan-2-ylformamide.

Molecular Properties

Compound Name1-diphenylphosphoryl-N-propan-2-ylformamide
PubChem CID102109425
Molecular FormulaC16H18NO2P
Molecular Weight287.30 g/mol
Exact Mass287.11
IUPAC Name1-diphenylphosphoryl-N-propan-2-ylformamide
SMILESCC(C)NC(=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18NO2P/c1-13(2)17-16(18)20(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,17,18)
InChIKeyVBJPYEWBESWMBE-UHFFFAOYSA-N
XLogP3.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 53.12
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

Acetamide, 2-(diphenylphosphinyl)-N-ethyl-
CID 796967
diphenyl-N,N-dibutyl-carbamoylphosphineoxide
CID 15461320
N-ethyl-5-(difenylfosfinyl)pentanamid
CID 169437460
Butylcarbamoyl(phenyl)phosphinic acid
CID 243336
N-tert-butyl-1-diphenylphosphorylformamide
CID 2776626
N-ethyl-N-(diphenylphosphinylmethyl)amine
CID 166606759
1-diphenylphosphoryl-N-propan-2-ylmethanethioamide
CID 2776746
N-methyl-N-[2-(diphenylphosphoryl)ethyl]amine
CID 3272265
(2R,3S)-2-diphenylphosphoryl-3-methylaziridine
CID 10753618
(2-Diphenylphosphorylethyl)butyl-amine
CID 11324075
N-diphenylphosphorylheptan-4-amine
CID 12517987
(2S)-N-diphenylphosphorylbutan-2-amine
CID 12596140

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-N-propan-2-ylformamide?
The IUPAC name of 1-diphenylphosphoryl-N-propan-2-ylformamide (CID 102109425) is 1-diphenylphosphoryl-N-propan-2-ylformamide.
What is the SMILES notation for 1-diphenylphosphoryl-N-propan-2-ylformamide?
The canonical SMILES for 1-diphenylphosphoryl-N-propan-2-ylformamide is CC(C)NC(=O)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphoryl-N-propan-2-ylformamide?
The InChIKey is VBJPYEWBESWMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NO2P/c1-13(2)17-16(18)20(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,17,18).
What are the key properties of 1-diphenylphosphoryl-N-propan-2-ylformamide?
1-diphenylphosphoryl-N-propan-2-ylformamide has a molecular weight of 287.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-N-propan-2-ylformamide is sourced from PubChem (CID 102109425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).