2-(1,3,2-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide

C23H22NO3P — CID 68991997

IUPAC2-(1,3,2-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide
SMILESO=C(NC=Cc1ccccc1)C(c1cccc2ccccc12)P1OCCCO1
InChIInChI=1S/C23H22NO3P/c25-23(24-15-14-18-8-2-1-3-9-18)22(28-26-16-7-17-27-28)21-13-6-11-19-10-4-5-12-20(19)21/h1-6,8-15,22H,7,16-17H2,(H,24,25)
InChIKeySXIKAQVQLKBICO-UHFFFAOYSA-N
MW391.41 g/mol
LogP5.42
Rot. Bonds5

About 2-(1,3,2-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide

2-(1,3,2-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide (PubChem CID 68991997) has the molecular formula C23H22NO3P and a molecular weight of 391.41 g/mol. Its IUPAC name is 2-(1,3,2-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide.

Molecular Properties

Compound Name2-(1,3,2-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide
PubChem CID68991997
Molecular FormulaC23H22NO3P
Molecular Weight391.41 g/mol
Exact Mass391.13
IUPAC Name2-(1,3,2-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide
SMILESO=C(NC=Cc1ccccc1)C(c1cccc2ccccc12)P1OCCCO1
InChIInChI=1S/C23H22NO3P/c25-23(24-15-14-18-8-2-1-3-9-18)22(28-26-16-7-17-27-28)21-13-6-11-19-10-4-5-12-20(19)21/h1-6,8-15,22H,7,16-17H2,(H,24,25)
InChIKeySXIKAQVQLKBICO-UHFFFAOYSA-N
XLogP5.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.41
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,2-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide?
The IUPAC name of 2-(1,3,2-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide (CID 68991997) is 2-(1,3,2-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide.
What is the SMILES notation for 2-(1,3,2-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide?
The canonical SMILES for 2-(1,3,2-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide is O=C(NC=Cc1ccccc1)C(c1cccc2ccccc12)P1OCCCO1.
What is the InChIKey of 2-(1,3,2-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide?
The InChIKey is SXIKAQVQLKBICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22NO3P/c25-23(24-15-14-18-8-2-1-3-9-18)22(28-26-16-7-17-27-28)21-13-6-11-19-10-4-5-12-20(19)21/h1-6,8-15,22H,7,16-17H2,(H,24,25).
What are the key properties of 2-(1,3,2-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide?
2-(1,3,2-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide has a molecular weight of 391.41 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,2-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide is sourced from PubChem (CID 68991997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).