N-(3-aminopropyl)-2-diphenylphosphorylacetamide

C17H21N2O2P — CID 86087456

IUPACN-(3-aminopropyl)-2-diphenylphosphorylacetamide
SMILESNCCCNC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N2O2P/c18-12-7-13-19-17(20)14-22(21,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11H,7,12-14,18H2,(H,19,20)
InChIKeyOPWURVZVEONYDW-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.47
Rot. Bonds7

About N-(3-aminopropyl)-2-diphenylphosphorylacetamide

N-(3-aminopropyl)-2-diphenylphosphorylacetamide (PubChem CID 86087456) has the molecular formula C17H21N2O2P and a molecular weight of 316.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-diphenylphosphorylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-diphenylphosphorylacetamide
PubChem CID86087456
Molecular FormulaC17H21N2O2P
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC NameN-(3-aminopropyl)-2-diphenylphosphorylacetamide
SMILESNCCCNC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N2O2P/c18-12-7-13-19-17(20)14-22(21,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11H,7,12-14,18H2,(H,19,20)
InChIKeyOPWURVZVEONYDW-UHFFFAOYSA-N
XLogP1.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethyl-
CID 796967
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
N-ethyl-5-(difenylfosfinyl)pentanamid
CID 169437460
2-(Diphenylphosphoryl)-N,N-bis(2-methylpropyl)acetamide
CID 13972021
N-((Diphenylphosphoryl)methyl)acetamide
CID 13736987
diphenyl-N-methylcarbamoylmethylphosphine
CID 15199033
N-(2-diphenylphosphinoylacetyl)piperazine
CID 20106194
1-(2,2-Dimethylpropanoylamino)ethyl-triphenylphosphanium
CID 46933855

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-diphenylphosphorylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-diphenylphosphorylacetamide (CID 86087456) is N-(3-aminopropyl)-2-diphenylphosphorylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-diphenylphosphorylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-diphenylphosphorylacetamide is NCCCNC(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-2-diphenylphosphorylacetamide?
The InChIKey is OPWURVZVEONYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N2O2P/c18-12-7-13-19-17(20)14-22(21,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11H,7,12-14,18H2,(H,19,20).
What are the key properties of N-(3-aminopropyl)-2-diphenylphosphorylacetamide?
N-(3-aminopropyl)-2-diphenylphosphorylacetamide has a molecular weight of 316.34 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-diphenylphosphorylacetamide is sourced from PubChem (CID 86087456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).