N-methoxy-N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide

C22H22NO2P — CID 2773656

IUPACN-methoxy-N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
SMILESCON(C)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO2P/c1-23(25-2)22(24)18-26(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3
InChIKeyDGBLSOOPDBHHRX-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.80
Rot. Bonds5

About N-methoxy-N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide

N-methoxy-N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide (PubChem CID 2773656) has the molecular formula C22H22NO2P and a molecular weight of 363.40 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
PubChem CID2773656
Molecular FormulaC22H22NO2P
Molecular Weight363.40 g/mol
Exact Mass363.14
IUPAC NameN-methoxy-N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
SMILESCON(C)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO2P/c1-23(25-2)22(24)18-26(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3
InChIKeyDGBLSOOPDBHHRX-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
The IUPAC name of N-methoxy-N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide (CID 2773656) is N-methoxy-N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide.
What is the SMILES notation for N-methoxy-N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
The canonical SMILES for N-methoxy-N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide is CON(C)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-methoxy-N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
The InChIKey is DGBLSOOPDBHHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22NO2P/c1-23(25-2)22(24)18-26(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3.
What are the key properties of N-methoxy-N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
N-methoxy-N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide has a molecular weight of 363.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide is sourced from PubChem (CID 2773656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).