2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide

About 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide

2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide (PubChem CID 11201391) has the molecular formula C25H26NO4P and a molecular weight of 435.46 g/mol. Its IUPAC name is 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide.

Molecular Properties

Compound Name	2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide
PubChem CID	11201391
Molecular Formula	C25H26NO4P
Molecular Weight	435.46 g/mol
Exact Mass	435.16
IUPAC Name	2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide
SMILES	CC1(C)COP(=O)(C(C(=O)N/C=C/c2ccccc2)c2cccc3ccccc23)OC1
InChI	InChI=1S/C25H26NO4P/c1-25(2)17-29-31(28,30-18-25)23(22-14-8-12-20-11-6-7-13-21(20)22)24(27)26-16-15-19-9-4-3-5-10-19/h3-16,23H,17-18H2,1-2H3,(H,26,27)/b16-15+
InChIKey	JXYCUJLWHKSVJN-FOCLMDBBSA-N
XLogP	5.93
TPSA	64.63 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.46
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide?

The IUPAC name of 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide (CID 11201391) is 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide.

What is the SMILES notation for 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide?

The canonical SMILES for 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide is CC1(C)COP(=O)(C(C(=O)N/C=C/c2ccccc2)c2cccc3ccccc23)OC1.

What is the InChIKey of 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide?

The InChIKey is JXYCUJLWHKSVJN-FOCLMDBBSA-N. The full InChI is InChI=1S/C25H26NO4P/c1-25(2)17-29-31(28,30-18-25)23(22-14-8-12-20-11-6-7-13-21(20)22)24(27)26-16-15-19-9-4-3-5-10-19/h3-16,23H,17-18H2,1-2H3,(H,26,27)/b16-15+.

What are the key properties of 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide?

2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide has a molecular weight of 435.46 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide is sourced from PubChem (CID 11201391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).