N-propan-2-yl-2-(triphenyl-lambda5-phosphanylidene)acetamide

C23H24NOP — CID 19906175

IUPACN-propan-2-yl-2-(triphenyl-lambda5-phosphanylidene)acetamide
SMILESCC(C)NC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24NOP/c1-19(2)24-23(25)18-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3,(H,24,25)
InChIKeyLXXRUHZFDPAPQU-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.31
Rot. Bonds5

About N-propan-2-yl-2-(triphenyl-lambda5-phosphanylidene)acetamide

N-propan-2-yl-2-(triphenyl-lambda5-phosphanylidene)acetamide (PubChem CID 19906175) has the molecular formula C23H24NOP and a molecular weight of 361.43 g/mol. Its IUPAC name is N-propan-2-yl-2-(triphenyl-lambda5-phosphanylidene)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(triphenyl-lambda5-phosphanylidene)acetamide
PubChem CID19906175
Molecular FormulaC23H24NOP
Molecular Weight361.43 g/mol
Exact Mass361.16
IUPAC NameN-propan-2-yl-2-(triphenyl-lambda5-phosphanylidene)acetamide
SMILESCC(C)NC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24NOP/c1-19(2)24-23(25)18-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3,(H,24,25)
InChIKeyLXXRUHZFDPAPQU-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.31
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-propan-2-yl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
The IUPAC name of N-propan-2-yl-2-(triphenyl-lambda5-phosphanylidene)acetamide (CID 19906175) is N-propan-2-yl-2-(triphenyl-lambda5-phosphanylidene)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
The canonical SMILES for N-propan-2-yl-2-(triphenyl-lambda5-phosphanylidene)acetamide is CC(C)NC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-propan-2-yl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
The InChIKey is LXXRUHZFDPAPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24NOP/c1-19(2)24-23(25)18-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3,(H,24,25).
What are the key properties of N-propan-2-yl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
N-propan-2-yl-2-(triphenyl-lambda5-phosphanylidene)acetamide has a molecular weight of 361.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(triphenyl-lambda5-phosphanylidene)acetamide is sourced from PubChem (CID 19906175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).