N-butyl-2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)acetamide

C31H33NO3P2 — CID 166606934

IUPACN-butyl-2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)acetamide
SMILESCCCCN(CP(=O)(c1ccccc1)c1ccccc1)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H33NO3P2/c1-2-3-24-32(26-37(35,29-20-12-6-13-21-29)30-22-14-7-15-23-30)31(33)25-36(34,27-16-8-4-9-17-27)28-18-10-5-11-19-28/h4-23H,2-3,24-26H2,1H3
InChIKeyXVTXHRVHEFORLR-UHFFFAOYSA-N
MW529.56 g/mol
LogP5.60
Rot. Bonds11

About N-butyl-2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)acetamide

N-butyl-2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)acetamide (PubChem CID 166606934) has the molecular formula C31H33NO3P2 and a molecular weight of 529.56 g/mol. Its IUPAC name is N-butyl-2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)acetamide
PubChem CID166606934
Molecular FormulaC31H33NO3P2
Molecular Weight529.56 g/mol
Exact Mass529.19
IUPAC NameN-butyl-2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)acetamide
SMILESCCCCN(CP(=O)(c1ccccc1)c1ccccc1)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H33NO3P2/c1-2-3-24-32(26-37(35,29-20-12-6-13-21-29)30-22-14-7-15-23-30)31(33)25-36(34,27-16-8-4-9-17-27)28-18-10-5-11-19-28/h4-23H,2-3,24-26H2,1H3
InChIKeyXVTXHRVHEFORLR-UHFFFAOYSA-N
XLogP5.60
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.56
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(diethylamino)-2-(diphenylphosphoryl)-N,N-diethylpropanamide
CID 2879771
Acetamide, 2-(diphenylphosphinyl)-N,N-diethyl-
CID 796632
2-(diphenylphosphoryl)-N,N-dipropylacetamide
CID 2193730
2-(Diphenyl-phosphinoyl)-1-piperidin-1-yl-ethanone
CID 611958
Acetamide, N,N-dibutyl-2-(diphenylphosphinyl)-
CID 4126391
diphenyl-N,N-dibutyl-carbamoylphosphineoxide
CID 15461320
2-(Diphenylphosphoryl)-N,N-bis(2-methylpropyl)acetamide
CID 13972021
N,N-bis(2-diphenylphosphanylethyl)-2,2-dimethylpropanamide
CID 12025725
N,N-bis(diphenylphosphorylmethyl)propan-1-amine
CID 12987932
N,N-bis(diphenylphosphorylmethyl)butan-1-amine
CID 12987934
bis(diphenylphosphino)-N-methylmaleinimide
CID 13323273
N,N-Dibutyl-2-[octyl(phenyl)phosphoryl]acetamide
CID 13972025

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)acetamide?
The IUPAC name of N-butyl-2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)acetamide (CID 166606934) is N-butyl-2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)acetamide.
What is the SMILES notation for N-butyl-2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)acetamide?
The canonical SMILES for N-butyl-2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)acetamide is CCCCN(CP(=O)(c1ccccc1)c1ccccc1)C(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-butyl-2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)acetamide?
The InChIKey is XVTXHRVHEFORLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO3P2/c1-2-3-24-32(26-37(35,29-20-12-6-13-21-29)30-22-14-7-15-23-30)31(33)25-36(34,27-16-8-4-9-17-27)28-18-10-5-11-19-28/h4-23H,2-3,24-26H2,1H3.
What are the key properties of N-butyl-2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)acetamide?
N-butyl-2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)acetamide has a molecular weight of 529.56 g/mol, XLogP of 5.60, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)acetamide is sourced from PubChem (CID 166606934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).