2-naphthalen-1-yl-2-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-[(E)-2-phenylethenyl]acetamide

C23H22NO4P — CID 25264787

IUPAC2-naphthalen-1-yl-2-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-[(E)-2-phenylethenyl]acetamide
SMILESO=C(N/C=C/c1ccccc1)C(c1cccc2ccccc12)P1(=O)OCCCO1
InChIInChI=1S/C23H22NO4P/c25-23(24-15-14-18-8-2-1-3-9-18)22(29(26)27-16-7-17-28-29)21-13-6-11-19-10-4-5-12-20(19)21/h1-6,8-15,22H,7,16-17H2,(H,24,25)/b15-14+
InChIKeyTUJDMNDPRFEGNC-CCEZHUSRSA-N
MW407.41 g/mol
LogP5.30
Rot. Bonds5

About 2-naphthalen-1-yl-2-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-[(E)-2-phenylethenyl]acetamide

2-naphthalen-1-yl-2-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-[(E)-2-phenylethenyl]acetamide (PubChem CID 25264787) has the molecular formula C23H22NO4P and a molecular weight of 407.41 g/mol. Its IUPAC name is 2-naphthalen-1-yl-2-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-[(E)-2-phenylethenyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-2-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-[(E)-2-phenylethenyl]acetamide
PubChem CID25264787
Molecular FormulaC23H22NO4P
Molecular Weight407.41 g/mol
Exact Mass407.13
IUPAC Name2-naphthalen-1-yl-2-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-[(E)-2-phenylethenyl]acetamide
SMILESO=C(N/C=C/c1ccccc1)C(c1cccc2ccccc12)P1(=O)OCCCO1
InChIInChI=1S/C23H22NO4P/c25-23(24-15-14-18-8-2-1-3-9-18)22(29(26)27-16-7-17-28-29)21-13-6-11-19-10-4-5-12-20(19)21/h1-6,8-15,22H,7,16-17H2,(H,24,25)/b15-14+
InChIKeyTUJDMNDPRFEGNC-CCEZHUSRSA-N
XLogP5.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.41
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-naphthalen-1-yl-2-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-[(E)-2-phenylethenyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-2-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-[(E)-2-phenylethenyl]acetamide (CID 25264787) is 2-naphthalen-1-yl-2-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-[(E)-2-phenylethenyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-2-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-[(E)-2-phenylethenyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-2-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-[(E)-2-phenylethenyl]acetamide is O=C(N/C=C/c1ccccc1)C(c1cccc2ccccc12)P1(=O)OCCCO1.
What is the InChIKey of 2-naphthalen-1-yl-2-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-[(E)-2-phenylethenyl]acetamide?
The InChIKey is TUJDMNDPRFEGNC-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H22NO4P/c25-23(24-15-14-18-8-2-1-3-9-18)22(29(26)27-16-7-17-28-29)21-13-6-11-19-10-4-5-12-20(19)21/h1-6,8-15,22H,7,16-17H2,(H,24,25)/b15-14+.
What are the key properties of 2-naphthalen-1-yl-2-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-[(E)-2-phenylethenyl]acetamide?
2-naphthalen-1-yl-2-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-[(E)-2-phenylethenyl]acetamide has a molecular weight of 407.41 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-2-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-[(E)-2-phenylethenyl]acetamide is sourced from PubChem (CID 25264787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).