N,N-dimethyl-2-(triphenyl-λ5-phosphanylidene)acetamide

C22H22NOP — CID 11046257

IUPACN,N-dimethyl-2-(triphenyl-λ5-phosphanylidene)acetamide
SMILESCN(C)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NOP/c1-23(2)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,1-2H3
InChIKeyGRXDBIYSDWGQPE-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.87
Rot. Bonds4

About N,N-dimethyl-2-(triphenyl-λ5-phosphanylidene)acetamide

N,N-dimethyl-2-(triphenyl-λ5-phosphanylidene)acetamide (PubChem CID 11046257) has the molecular formula C22H22NOP and a molecular weight of 347.40 g/mol. Its IUPAC name is N,N-dimethyl-2-(triphenyl-λ5-phosphanylidene)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(triphenyl-λ5-phosphanylidene)acetamide
PubChem CID11046257
Molecular FormulaC22H22NOP
Molecular Weight347.40 g/mol
Exact Mass347.14
IUPAC NameN,N-dimethyl-2-(triphenyl-λ5-phosphanylidene)acetamide
SMILESCN(C)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NOP/c1-23(2)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,1-2H3
InChIKeyGRXDBIYSDWGQPE-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
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,N-dimethyl-2-(triphenyl-λ5-phosphanylidene)acetamide?
The IUPAC name of N,N-dimethyl-2-(triphenyl-λ5-phosphanylidene)acetamide (CID 11046257) is N,N-dimethyl-2-(triphenyl-λ5-phosphanylidene)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(triphenyl-λ5-phosphanylidene)acetamide?
The canonical SMILES for N,N-dimethyl-2-(triphenyl-λ5-phosphanylidene)acetamide is CN(C)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-(triphenyl-λ5-phosphanylidene)acetamide?
The InChIKey is GRXDBIYSDWGQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22NOP/c1-23(2)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,1-2H3.
What are the key properties of N,N-dimethyl-2-(triphenyl-λ5-phosphanylidene)acetamide?
N,N-dimethyl-2-(triphenyl-λ5-phosphanylidene)acetamide has a molecular weight of 347.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(triphenyl-λ5-phosphanylidene)acetamide is sourced from PubChem (CID 11046257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).