N,N-dibutyl-1-diphenylphosphorylformamide

C21H28NO2P — CID 15461320

IUPACN,N-dibutyl-1-diphenylphosphorylformamide
SMILESCCCCN(CCCC)C(=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28NO2P/c1-3-5-17-22(18-6-4-2)21(23)25(24,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3
InChIKeyLLGNVOWTGMATQM-UHFFFAOYSA-N
MW357.43 g/mol
LogP5.02
Rot. Bonds9

About N,N-dibutyl-1-diphenylphosphorylformamide

N,N-dibutyl-1-diphenylphosphorylformamide (PubChem CID 15461320) has the molecular formula C21H28NO2P and a molecular weight of 357.43 g/mol. Its IUPAC name is N,N-dibutyl-1-diphenylphosphorylformamide.

Molecular Properties

Compound NameN,N-dibutyl-1-diphenylphosphorylformamide
PubChem CID15461320
Molecular FormulaC21H28NO2P
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN,N-dibutyl-1-diphenylphosphorylformamide
SMILESCCCCN(CCCC)C(=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28NO2P/c1-3-5-17-22(18-6-4-2)21(23)25(24,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3
InChIKeyLLGNVOWTGMATQM-UHFFFAOYSA-N
XLogP5.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.43
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-butylpropanamide
CID 12502571
benzoic acid;dibutylcarbamic acid
CID 160812669
N-benzyl-N-butyl-4-hydroxybutanamide
CID 139706995
N,N-dibutyl-4-oxo-4-phenylbutanamide
CID 10684868
N,N-dibutyl-2-phenoxyacetamide
CID 4074500
2-diphenylphosphoryl-N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
CID 14169460
N-butyl-N-(2-chloroethyl)benzamide
CID 63390876
N-(2-aminoethyl)-N-butyl-4-phenylbutanamide
CID 63754072
(Z)-4-[benzyl(butyl)amino]-2-hydroxy-4-oxobut-2-enoic acid
CID 54689381
1,6-bis(diphenylphosphoryl)hexane-1,6-dione
CID 58792595
N,N-dihexyl-3-phenylpropanamide
CID 532921
3-benzhydryl-1,1-dibutylurea
CID 108867480

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1-diphenylphosphorylformamide?
The IUPAC name of N,N-dibutyl-1-diphenylphosphorylformamide (CID 15461320) is N,N-dibutyl-1-diphenylphosphorylformamide.
What is the SMILES notation for N,N-dibutyl-1-diphenylphosphorylformamide?
The canonical SMILES for N,N-dibutyl-1-diphenylphosphorylformamide is CCCCN(CCCC)C(=O)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-dibutyl-1-diphenylphosphorylformamide?
The InChIKey is LLGNVOWTGMATQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28NO2P/c1-3-5-17-22(18-6-4-2)21(23)25(24,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3.
What are the key properties of N,N-dibutyl-1-diphenylphosphorylformamide?
N,N-dibutyl-1-diphenylphosphorylformamide has a molecular weight of 357.43 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1-diphenylphosphorylformamide is sourced from PubChem (CID 15461320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).