N-(triphenyl-lambda5-phosphanylidene)propanamide

C21H20NOP — CID 13438792

IUPACN-(triphenyl-lambda5-phosphanylidene)propanamide
SMILESCCC(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20NOP/c1-2-21(23)22-24(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3
InChIKeyREDNYEDQTBNYEO-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.10
Rot. Bonds4

About N-(triphenyl-lambda5-phosphanylidene)propanamide

N-(triphenyl-lambda5-phosphanylidene)propanamide (PubChem CID 13438792) has the molecular formula C21H20NOP and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(triphenyl-lambda5-phosphanylidene)propanamide.

Molecular Properties

Compound NameN-(triphenyl-lambda5-phosphanylidene)propanamide
PubChem CID13438792
Molecular FormulaC21H20NOP
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC NameN-(triphenyl-lambda5-phosphanylidene)propanamide
SMILESCCC(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20NOP/c1-2-21(23)22-24(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3
InChIKeyREDNYEDQTBNYEO-UHFFFAOYSA-N
XLogP4.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.10
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-(triphenyl-lambda5-phosphanylidene)propanamide?
The IUPAC name of N-(triphenyl-lambda5-phosphanylidene)propanamide (CID 13438792) is N-(triphenyl-lambda5-phosphanylidene)propanamide.
What is the SMILES notation for N-(triphenyl-lambda5-phosphanylidene)propanamide?
The canonical SMILES for N-(triphenyl-lambda5-phosphanylidene)propanamide is CCC(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(triphenyl-lambda5-phosphanylidene)propanamide?
The InChIKey is REDNYEDQTBNYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20NOP/c1-2-21(23)22-24(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3.
What are the key properties of N-(triphenyl-lambda5-phosphanylidene)propanamide?
N-(triphenyl-lambda5-phosphanylidene)propanamide has a molecular weight of 333.37 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(triphenyl-lambda5-phosphanylidene)propanamide is sourced from PubChem (CID 13438792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).