N-(methoxymethyl)-2-(triphenyl-λ5-phosphanylidene)acetamide

C22H22NO2P — CID 19038915

IUPACN-(methoxymethyl)-2-(triphenyl-λ5-phosphanylidene)acetamide
SMILESCOCNC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO2P/c1-25-18-23-22(24)17-26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,18H2,1H3,(H,23,24)
InChIKeyCFGLWROUJAMUKI-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.50
Rot. Bonds6

About N-(methoxymethyl)-2-(triphenyl-λ5-phosphanylidene)acetamide

N-(methoxymethyl)-2-(triphenyl-λ5-phosphanylidene)acetamide (PubChem CID 19038915) has the molecular formula C22H22NO2P and a molecular weight of 363.40 g/mol. Its IUPAC name is N-(methoxymethyl)-2-(triphenyl-λ5-phosphanylidene)acetamide.

Molecular Properties

Compound NameN-(methoxymethyl)-2-(triphenyl-λ5-phosphanylidene)acetamide
PubChem CID19038915
Molecular FormulaC22H22NO2P
Molecular Weight363.40 g/mol
Exact Mass363.14
IUPAC NameN-(methoxymethyl)-2-(triphenyl-λ5-phosphanylidene)acetamide
SMILESCOCNC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO2P/c1-25-18-23-22(24)17-26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,18H2,1H3,(H,23,24)
InChIKeyCFGLWROUJAMUKI-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-2-(triphenyl-λ5-phosphanylidene)acetamide?
The IUPAC name of N-(methoxymethyl)-2-(triphenyl-λ5-phosphanylidene)acetamide (CID 19038915) is N-(methoxymethyl)-2-(triphenyl-λ5-phosphanylidene)acetamide.
What is the SMILES notation for N-(methoxymethyl)-2-(triphenyl-λ5-phosphanylidene)acetamide?
The canonical SMILES for N-(methoxymethyl)-2-(triphenyl-λ5-phosphanylidene)acetamide is COCNC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(methoxymethyl)-2-(triphenyl-λ5-phosphanylidene)acetamide?
The InChIKey is CFGLWROUJAMUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22NO2P/c1-25-18-23-22(24)17-26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,18H2,1H3,(H,23,24).
What are the key properties of N-(methoxymethyl)-2-(triphenyl-λ5-phosphanylidene)acetamide?
N-(methoxymethyl)-2-(triphenyl-λ5-phosphanylidene)acetamide has a molecular weight of 363.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-2-(triphenyl-λ5-phosphanylidene)acetamide is sourced from PubChem (CID 19038915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).