N,N-dibutyl-2-diphenylphosphorylacetamide

C22H30NO2P — CID 4126391

IUPACN,N-dibutyl-2-diphenylphosphorylacetamide
SMILESCCCCN(CCCC)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30NO2P/c1-3-5-17-23(18-6-4-2)22(24)19-26(25,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16H,3-6,17-19H2,1-2H3
InChIKeySSPJHMCMDDKVPU-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.43
Rot. Bonds10

About N,N-dibutyl-2-diphenylphosphorylacetamide

N,N-dibutyl-2-diphenylphosphorylacetamide (PubChem CID 4126391) has the molecular formula C22H30NO2P and a molecular weight of 371.46 g/mol. Its IUPAC name is N,N-dibutyl-2-diphenylphosphorylacetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-diphenylphosphorylacetamide
PubChem CID4126391
Molecular FormulaC22H30NO2P
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN,N-dibutyl-2-diphenylphosphorylacetamide
SMILESCCCCN(CCCC)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30NO2P/c1-3-5-17-23(18-6-4-2)22(24)19-26(25,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16H,3-6,17-19H2,1-2H3
InChIKeySSPJHMCMDDKVPU-UHFFFAOYSA-N
XLogP4.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.43
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

2-(diphenylphosphoryl)-N-ethylacetamide
CID 796967
2-(diphenylphosphoryl)-N,N-diethylethanamine
CID 785453
3-(diethylamino)-2-(diphenylphosphoryl)-N,N-diethylpropanamide
CID 2879771
octyl(phenyl)-N,N-diisobutylcarbamoylmethylphosphine oxide
CID 158335
1-(diphenylphosphoryl)-N,N-diethylcyclobutanecarboxamide
CID 1046768
2-Diphenylphosphoryl-1-morpholin-4-ylethanone
CID 608571
Acetamide, 2-(diphenylphosphinyl)-N,N-diethyl-
CID 796632
3-(Diphenylphosphoryl)-N,N-dimethylpropan-1-amine
CID 120484
2-(diphenylphosphoryl)-N,N-dipropylacetamide
CID 2193730
N,N-dibutyl-1-(diphenylphosphoryl)cyclobutanecarboxamide
CID 1909338
N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide
CID 2241619
N-butyl-N-(diphenylphosphorylmethyl)butan-1-amine
CID 2251614

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-diphenylphosphorylacetamide?
The IUPAC name of N,N-dibutyl-2-diphenylphosphorylacetamide (CID 4126391) is N,N-dibutyl-2-diphenylphosphorylacetamide.
What is the SMILES notation for N,N-dibutyl-2-diphenylphosphorylacetamide?
The canonical SMILES for N,N-dibutyl-2-diphenylphosphorylacetamide is CCCCN(CCCC)C(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-dibutyl-2-diphenylphosphorylacetamide?
The InChIKey is SSPJHMCMDDKVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30NO2P/c1-3-5-17-23(18-6-4-2)22(24)19-26(25,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16H,3-6,17-19H2,1-2H3.
What are the key properties of N,N-dibutyl-2-diphenylphosphorylacetamide?
N,N-dibutyl-2-diphenylphosphorylacetamide has a molecular weight of 371.46 g/mol, XLogP of 4.43, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-diphenylphosphorylacetamide is sourced from PubChem (CID 4126391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).