N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide

C24H26NOP — CID 12848580

IUPACN,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
SMILESCCN(CC)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26NOP/c1-3-25(4-2)24(26)20-27(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20H,3-4H2,1-2H3
InChIKeyJJKQHTYHRSJMSV-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.65
Rot. Bonds6

About N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide

N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide (PubChem CID 12848580) has the molecular formula C24H26NOP and a molecular weight of 375.45 g/mol. Its IUPAC name is N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
PubChem CID12848580
Molecular FormulaC24H26NOP
Molecular Weight375.45 g/mol
Exact Mass375.18
IUPAC NameN,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
SMILESCCN(CC)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26NOP/c1-3-25(4-2)24(26)20-27(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20H,3-4H2,1-2H3
InChIKeyJJKQHTYHRSJMSV-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
The IUPAC name of N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide (CID 12848580) is N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide.
What is the SMILES notation for N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
The canonical SMILES for N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide is CCN(CC)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
The InChIKey is JJKQHTYHRSJMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26NOP/c1-3-25(4-2)24(26)20-27(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide has a molecular weight of 375.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide is sourced from PubChem (CID 12848580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).