N,N-dibenzyl-2-diethoxyphosphorylacetamide

C20H26NO4P — CID 11100843

IUPACN,N-dibenzyl-2-diethoxyphosphorylacetamide
SMILESCCOP(=O)(CC(=O)N(Cc1ccccc1)Cc1ccccc1)OCC
InChIInChI=1S/C20H26NO4P/c1-3-24-26(23,25-4-2)17-20(22)21(15-18-11-7-5-8-12-18)16-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3
InChIKeyAGDUQUSOWUDCIG-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.48
Rot. Bonds10

About N,N-dibenzyl-2-diethoxyphosphorylacetamide

N,N-dibenzyl-2-diethoxyphosphorylacetamide (PubChem CID 11100843) has the molecular formula C20H26NO4P and a molecular weight of 375.41 g/mol. Its IUPAC name is N,N-dibenzyl-2-diethoxyphosphorylacetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-diethoxyphosphorylacetamide
PubChem CID11100843
Molecular FormulaC20H26NO4P
Molecular Weight375.41 g/mol
Exact Mass375.16
IUPAC NameN,N-dibenzyl-2-diethoxyphosphorylacetamide
SMILESCCOP(=O)(CC(=O)N(Cc1ccccc1)Cc1ccccc1)OCC
InChIInChI=1S/C20H26NO4P/c1-3-24-26(23,25-4-2)17-20(22)21(15-18-11-7-5-8-12-18)16-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3
InChIKeyAGDUQUSOWUDCIG-UHFFFAOYSA-N
XLogP4.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
2-[benzyl-(2-diethoxyphosphorylacetyl)amino]-N-tert-butyl-4-oxo-4-phenylbutanamide
CID 11168275
acetic acid;ethyl 2-[[2-[benzyl-(2-diethoxyphosphorylacetyl)amino]-3-methylbutanoyl]amino]acetate
CID 87516038
(2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-3-phenylpropan-1-ol
CID 12965017
(2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol
CID 11314906
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
(E)-1-diethoxyphosphoryl-5-phenylmethoxyhex-3-en-2-one
CID 177401474
N,N-dibenzyl-4-trimethylsilylbutanamide
CID 16744462
2-diethoxyphosphorylethylbenzene
CID 3448525
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-N-diethoxyphosphorylethanamine
CID 13268716
(E)-4-diethoxyphosphoryl-3-phenylbut-2-enoic acid
CID 87453545

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-diethoxyphosphorylacetamide?
The IUPAC name of N,N-dibenzyl-2-diethoxyphosphorylacetamide (CID 11100843) is N,N-dibenzyl-2-diethoxyphosphorylacetamide.
What is the SMILES notation for N,N-dibenzyl-2-diethoxyphosphorylacetamide?
The canonical SMILES for N,N-dibenzyl-2-diethoxyphosphorylacetamide is CCOP(=O)(CC(=O)N(Cc1ccccc1)Cc1ccccc1)OCC.
What is the InChIKey of N,N-dibenzyl-2-diethoxyphosphorylacetamide?
The InChIKey is AGDUQUSOWUDCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26NO4P/c1-3-24-26(23,25-4-2)17-20(22)21(15-18-11-7-5-8-12-18)16-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3.
What are the key properties of N,N-dibenzyl-2-diethoxyphosphorylacetamide?
N,N-dibenzyl-2-diethoxyphosphorylacetamide has a molecular weight of 375.41 g/mol, XLogP of 4.48, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-diethoxyphosphorylacetamide is sourced from PubChem (CID 11100843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).