N-ethyl-2-(triphenyl-λ5-phosphanylidene)acetamide

C22H22NOP — CID 54380321

IUPACN-ethyl-2-(triphenyl-λ5-phosphanylidene)acetamide
SMILESCCNC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NOP/c1-2-23-22(24)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3,(H,23,24)
InChIKeyUZKVSNFSCLANRE-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.92
Rot. Bonds5

About N-ethyl-2-(triphenyl-λ5-phosphanylidene)acetamide

N-ethyl-2-(triphenyl-λ5-phosphanylidene)acetamide (PubChem CID 54380321) has the molecular formula C22H22NOP and a molecular weight of 347.40 g/mol. Its IUPAC name is N-ethyl-2-(triphenyl-λ5-phosphanylidene)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(triphenyl-λ5-phosphanylidene)acetamide
PubChem CID54380321
Molecular FormulaC22H22NOP
Molecular Weight347.40 g/mol
Exact Mass347.14
IUPAC NameN-ethyl-2-(triphenyl-λ5-phosphanylidene)acetamide
SMILESCCNC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NOP/c1-2-23-22(24)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3,(H,23,24)
InChIKeyUZKVSNFSCLANRE-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(diphenylphosphoryl)-N-ethylacetamide
CID 796967
2-(Triphenylphosphoranylidene)acetamide
CID 38099
2-(Triphenylphosphaniumyl)ethanimidate--hydrogen chloride (1/1)
CID 212892
Acetamide, 2-(diphenylphosphinyl)-N,N-diethyl-
CID 796632
((2-Chloro-acetylamino)-methyl)-triphenyl-phosphonium, chloride
CID 45048468
Triphenyl(pivalamidomethyl)phosphonium chloride
CID 11964999
Triphenyl-((2,2,2-trifluoro-acetylamino)-methyl)-phosphonium, chloride
CID 24213148
3-(Ethylamino)propyl-triphenylphosphanium;dihydrobromide
CID 46905934
Triphenyl-[3-(propylamino)propyl]phosphanium;dihydrobromide
CID 46905935
(2-Amino-2-oxoethyl)-triphenylphosphanium
CID 212893
Acetamide, 2-(diphenylphosphinothioyl)-N,N-diethyl-
CID 796778
(1-(Dimethylamino)-1-oxopropan-2-yl)triphenylphosphonium bromide
CID 24213348

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(triphenyl-λ5-phosphanylidene)acetamide?
The IUPAC name of N-ethyl-2-(triphenyl-λ5-phosphanylidene)acetamide (CID 54380321) is N-ethyl-2-(triphenyl-λ5-phosphanylidene)acetamide.
What is the SMILES notation for N-ethyl-2-(triphenyl-λ5-phosphanylidene)acetamide?
The canonical SMILES for N-ethyl-2-(triphenyl-λ5-phosphanylidene)acetamide is CCNC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-ethyl-2-(triphenyl-λ5-phosphanylidene)acetamide?
The InChIKey is UZKVSNFSCLANRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22NOP/c1-2-23-22(24)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3,(H,23,24).
What are the key properties of N-ethyl-2-(triphenyl-λ5-phosphanylidene)acetamide?
N-ethyl-2-(triphenyl-λ5-phosphanylidene)acetamide has a molecular weight of 347.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(triphenyl-λ5-phosphanylidene)acetamide is sourced from PubChem (CID 54380321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).