N-[2-(dimethylamino)ethyl]-2-diphenylphosphorylacetamide

C18H23N2O2P — CID 154585241

IUPACN-[2-(dimethylamino)ethyl]-2-diphenylphosphorylacetamide
SMILESCN(C)CCNC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N2O2P/c1-20(2)14-13-19-18(21)15-23(22,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3,(H,19,21)
InChIKeyMNAIKXGCCNMJFL-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.68
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-diphenylphosphorylacetamide

N-[2-(dimethylamino)ethyl]-2-diphenylphosphorylacetamide (PubChem CID 154585241) has the molecular formula C18H23N2O2P and a molecular weight of 330.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-diphenylphosphorylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-diphenylphosphorylacetamide
PubChem CID154585241
Molecular FormulaC18H23N2O2P
Molecular Weight330.37 g/mol
Exact Mass330.15
IUPAC NameN-[2-(dimethylamino)ethyl]-2-diphenylphosphorylacetamide
SMILESCN(C)CCNC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N2O2P/c1-20(2)14-13-19-18(21)15-23(22,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3,(H,19,21)
InChIKeyMNAIKXGCCNMJFL-UHFFFAOYSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
Acetamide, N,N-dibutyl-2-(diphenylphosphinyl)-
CID 4126391
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
(2-((2-(Diethylamino)ethyl)amino)ethyl)diphenyl-phosphine
CID 129696109
N-((Diphenylphosphoryl)methyl)acetamide
CID 13736987

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-diphenylphosphorylacetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-diphenylphosphorylacetamide (CID 154585241) is N-[2-(dimethylamino)ethyl]-2-diphenylphosphorylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-diphenylphosphorylacetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-diphenylphosphorylacetamide is CN(C)CCNC(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-diphenylphosphorylacetamide?
The InChIKey is MNAIKXGCCNMJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N2O2P/c1-20(2)14-13-19-18(21)15-23(22,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-diphenylphosphorylacetamide?
N-[2-(dimethylamino)ethyl]-2-diphenylphosphorylacetamide has a molecular weight of 330.37 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-diphenylphosphorylacetamide is sourced from PubChem (CID 154585241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).