N-(1,1-dimethoxy-2,6-diphenyl-1λ5-phosphacyclohexa-1,3,5-trien-4-yl)acetamide

C21H22NO3P — CID 4868190

IUPACN-(1,1-dimethoxy-2,6-diphenyl-1λ5-phosphacyclohexa-1,3,5-trien-4-yl)acetamide
SMILESCOP1(OC)=C(c2ccccc2)C=C(NC(C)=O)C=C1c1ccccc1
InChIInChI=1S/C21H22NO3P/c1-16(23)22-19-14-20(17-10-6-4-7-11-17)26(24-2,25-3)21(15-19)18-12-8-5-9-13-18/h4-15H,1-3H3,(H,22,23)
InChIKeyZXJSSBBJTJQUGF-UHFFFAOYSA-N
MW367.39 g/mol
LogP4.42
Rot. Bonds5

About N-(1,1-dimethoxy-2,6-diphenyl-1λ5-phosphacyclohexa-1,3,5-trien-4-yl)acetamide

N-(1,1-dimethoxy-2,6-diphenyl-1λ5-phosphacyclohexa-1,3,5-trien-4-yl)acetamide (PubChem CID 4868190) has the molecular formula C21H22NO3P and a molecular weight of 367.39 g/mol. Its IUPAC name is N-(1,1-dimethoxy-2,6-diphenyl-1λ5-phosphacyclohexa-1,3,5-trien-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dimethoxy-2,6-diphenyl-1λ5-phosphacyclohexa-1,3,5-trien-4-yl)acetamide
PubChem CID4868190
Molecular FormulaC21H22NO3P
Molecular Weight367.39 g/mol
Exact Mass367.13
IUPAC NameN-(1,1-dimethoxy-2,6-diphenyl-1λ5-phosphacyclohexa-1,3,5-trien-4-yl)acetamide
SMILESCOP1(OC)=C(c2ccccc2)C=C(NC(C)=O)C=C1c1ccccc1
InChIInChI=1S/C21H22NO3P/c1-16(23)22-19-14-20(17-10-6-4-7-11-17)26(24-2,25-3)21(15-19)18-12-8-5-9-13-18/h4-15H,1-3H3,(H,22,23)
InChIKeyZXJSSBBJTJQUGF-UHFFFAOYSA-N
XLogP4.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-methoxy-2,4,6-triphenyl-1λ5-phosphacyclohexa-1,3,5-trien-1-yl) propanoate
CID 134868693
N-(4-phenylphenyl)acetamide
CID 19998
benzene;ethane;methyl acetate;phenol
CID 162170522
(tetraphenyl-λ5-stibanyl) acetate
CID 16699436
acetic acid;1,1'-biphenyl;ethane
CID 91464981
acetic acid;1,1'-biphenyl;zinc
CID 70522083
cobalt;N-phenylacetamide
CID 158689050
methyl 2-acetamido-4-chloro-3-phenylbenzoate
CID 140992761
benzene;methyl acetate;hydroiodide
CID 174288307
methyl acetate;1-methyl-1-phenylhydrazine
CID 90706381
N-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide
CID 86260174
anisole;ethane;propan-2-one
CID 164986667

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxy-2,6-diphenyl-1λ5-phosphacyclohexa-1,3,5-trien-4-yl)acetamide?
The IUPAC name of N-(1,1-dimethoxy-2,6-diphenyl-1λ5-phosphacyclohexa-1,3,5-trien-4-yl)acetamide (CID 4868190) is N-(1,1-dimethoxy-2,6-diphenyl-1λ5-phosphacyclohexa-1,3,5-trien-4-yl)acetamide.
What is the SMILES notation for N-(1,1-dimethoxy-2,6-diphenyl-1λ5-phosphacyclohexa-1,3,5-trien-4-yl)acetamide?
The canonical SMILES for N-(1,1-dimethoxy-2,6-diphenyl-1λ5-phosphacyclohexa-1,3,5-trien-4-yl)acetamide is COP1(OC)=C(c2ccccc2)C=C(NC(C)=O)C=C1c1ccccc1.
What is the InChIKey of N-(1,1-dimethoxy-2,6-diphenyl-1λ5-phosphacyclohexa-1,3,5-trien-4-yl)acetamide?
The InChIKey is ZXJSSBBJTJQUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22NO3P/c1-16(23)22-19-14-20(17-10-6-4-7-11-17)26(24-2,25-3)21(15-19)18-12-8-5-9-13-18/h4-15H,1-3H3,(H,22,23).
What are the key properties of N-(1,1-dimethoxy-2,6-diphenyl-1λ5-phosphacyclohexa-1,3,5-trien-4-yl)acetamide?
N-(1,1-dimethoxy-2,6-diphenyl-1λ5-phosphacyclohexa-1,3,5-trien-4-yl)acetamide has a molecular weight of 367.39 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxy-2,6-diphenyl-1λ5-phosphacyclohexa-1,3,5-trien-4-yl)acetamide is sourced from PubChem (CID 4868190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).