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

C21H20NOP — CID 19906207

IUPACN-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
SMILESCNC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20NOP/c1-22-21(23)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H,22,23)
InChIKeyYPLVRNHVBXKSRA-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.53
Rot. Bonds4

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

N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide (PubChem CID 19906207) has the molecular formula C21H20NOP and a molecular weight of 333.37 g/mol. Its IUPAC name is N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide.

Molecular Properties

Compound NameN-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
PubChem CID19906207
Molecular FormulaC21H20NOP
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC NameN-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
SMILESCNC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20NOP/c1-22-21(23)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H,22,23)
InChIKeyYPLVRNHVBXKSRA-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
The IUPAC name of N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide (CID 19906207) is N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide.
What is the SMILES notation for N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
The canonical SMILES for N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide is CNC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
The InChIKey is YPLVRNHVBXKSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20NOP/c1-22-21(23)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H,22,23).
What are the key properties of N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide has a molecular weight of 333.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide is sourced from PubChem (CID 19906207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).