N-[3-(diethylamino)propyl]-2-diphenylphosphorylacetamide

C21H29N2O2P — CID 154585283

IUPACN-[3-(diethylamino)propyl]-2-diphenylphosphorylacetamide
SMILESCCN(CC)CCCNC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29N2O2P/c1-3-23(4-2)17-11-16-22-21(24)18-26(25,19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15H,3-4,11,16-18H2,1-2H3,(H,22,24)
InChIKeyQKMKMHBHDYYLKI-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.85
Rot. Bonds10

About N-[3-(diethylamino)propyl]-2-diphenylphosphorylacetamide

N-[3-(diethylamino)propyl]-2-diphenylphosphorylacetamide (PubChem CID 154585283) has the molecular formula C21H29N2O2P and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-diphenylphosphorylacetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-diphenylphosphorylacetamide
PubChem CID154585283
Molecular FormulaC21H29N2O2P
Molecular Weight372.45 g/mol
Exact Mass372.20
IUPAC NameN-[3-(diethylamino)propyl]-2-diphenylphosphorylacetamide
SMILESCCN(CC)CCCNC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29N2O2P/c1-3-23(4-2)17-11-16-22-21(24)18-26(25,19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15H,3-4,11,16-18H2,1-2H3,(H,22,24)
InChIKeyQKMKMHBHDYYLKI-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
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
N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide
CID 2241619
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
N-ethyl-5-(difenylfosfinyl)pentanamid
CID 169437460
Acetamide, 2-(diphenylphosphinothioyl)-N,N-diethyl-
CID 796778
2-(Diphenylphosphoryl)-N,N-bis(2-methylpropyl)acetamide
CID 13972021
2-(Diphenylphosphoryl)-N,N-dimethylacetamide
CID 14897379

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-diphenylphosphorylacetamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-diphenylphosphorylacetamide (CID 154585283) is N-[3-(diethylamino)propyl]-2-diphenylphosphorylacetamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-diphenylphosphorylacetamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-diphenylphosphorylacetamide is CCN(CC)CCCNC(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-diphenylphosphorylacetamide?
The InChIKey is QKMKMHBHDYYLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N2O2P/c1-3-23(4-2)17-11-16-22-21(24)18-26(25,19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15H,3-4,11,16-18H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(diethylamino)propyl]-2-diphenylphosphorylacetamide?
N-[3-(diethylamino)propyl]-2-diphenylphosphorylacetamide has a molecular weight of 372.45 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-diphenylphosphorylacetamide is sourced from PubChem (CID 154585283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).