ethyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate

C22H22NO2P — CID 10666405

IUPACethyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate
SMILESCCOC(=O)CN=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO2P/c1-2-25-22(24)18-23-26(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3
InChIKeyMQYQYDQYSAGRCK-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.73
Rot. Bonds6

About ethyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate

ethyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate (PubChem CID 10666405) has the molecular formula C22H22NO2P and a molecular weight of 363.40 g/mol. Its IUPAC name is ethyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate
PubChem CID10666405
Molecular FormulaC22H22NO2P
Molecular Weight363.40 g/mol
Exact Mass363.14
IUPAC Nameethyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate
SMILESCCOC(=O)CN=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO2P/c1-2-25-22(24)18-23-26(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3
InChIKeyMQYQYDQYSAGRCK-UHFFFAOYSA-N
XLogP3.73
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl ester
CID 70670
Ethyl 2-(triphenylphosphoranylidene)propionate
CID 79792
(Ethoxycarbonylmethyl)triphenylphosphonium bromide
CID 73731
Phosphonium, (2-ethoxy-2-oxoethyl)triphenyl-, chloride (1:1)
CID 87159
(3-Ethoxy-3-oxopropyl)(triphenyl)phosphonium bromide
CID 494124
(Ethoxycarbonylmethyl)triphenylphosphonium
CID 73732
(1-Ethoxy-1-oxopropan-2-yl)-triphenylphosphanium
CID 87674
[3-(Acetyloxy)propyl](triphenyl)phosphanium bromide
CID 24192947
Carbamic acid, (triphenylphosphoranylidene)-, ethyl ester
CID 5113068
(2-ethoxy-2-oxo(1,2-13C2)ethyl)-triphenylphosphanium;hydrobromide
CID 16212654
(2-Ethoxy-2-oxo(1,2-13C2)ethyl)-triphenylphosphanium;bromide
CID 71310172
(Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide
CID 155889360

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate?
The IUPAC name of ethyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate (CID 10666405) is ethyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate.
What is the SMILES notation for ethyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate?
The canonical SMILES for ethyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate is CCOC(=O)CN=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate?
The InChIKey is MQYQYDQYSAGRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22NO2P/c1-2-25-22(24)18-23-26(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3.
What are the key properties of ethyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate?
ethyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate has a molecular weight of 363.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate is sourced from PubChem (CID 10666405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).