N-(2-diphenylphosphoryl-1-naphthalen-1-ylethyl)acetamide

C26H24NO2P — CID 175087206

IUPACN-(2-diphenylphosphoryl-1-naphthalen-1-ylethyl)acetamide
SMILESCC(=O)NC(CP(=O)(c1ccccc1)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C26H24NO2P/c1-20(28)27-26(25-18-10-12-21-11-8-9-17-24(21)25)19-30(29,22-13-4-2-5-14-22)23-15-6-3-7-16-23/h2-18,26H,19H2,1H3,(H,27,28)
InChIKeyOZBSUMSMTQHPBK-UHFFFAOYSA-N
MW413.46 g/mol
LogP5.03
Rot. Bonds6

About N-(2-diphenylphosphoryl-1-naphthalen-1-ylethyl)acetamide

N-(2-diphenylphosphoryl-1-naphthalen-1-ylethyl)acetamide (PubChem CID 175087206) has the molecular formula C26H24NO2P and a molecular weight of 413.46 g/mol. Its IUPAC name is N-(2-diphenylphosphoryl-1-naphthalen-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-(2-diphenylphosphoryl-1-naphthalen-1-ylethyl)acetamide
PubChem CID175087206
Molecular FormulaC26H24NO2P
Molecular Weight413.46 g/mol
Exact Mass413.15
IUPAC NameN-(2-diphenylphosphoryl-1-naphthalen-1-ylethyl)acetamide
SMILESCC(=O)NC(CP(=O)(c1ccccc1)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C26H24NO2P/c1-20(28)27-26(25-18-10-12-21-11-8-9-17-24(21)25)19-30(29,22-13-4-2-5-14-22)23-15-6-3-7-16-23/h2-18,26H,19H2,1H3,(H,27,28)
InChIKeyOZBSUMSMTQHPBK-UHFFFAOYSA-N
XLogP5.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-naphthalen-1-ylbutyl]acetamide
CID 101232635
(3S)-3-acetamido-3-isoquinolin-4-ylpropanoic acid
CID 104504331
N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide
CID 23140892
4-diphenylphosphoryl-3-methylbutan-2-one
CID 13202522
(2-acetamido-2-naphthalen-2-ylethyl)phosphonic acid
CID 71145120
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
3-naphthalen-1-ylbutanoic acid
CID 43211329
methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate
CID 140505249
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
3-[[(1R)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562047
3-naphthalen-1-yl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 3764471
3-[[(1S)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562068

Frequently Asked Questions

What is the IUPAC name of N-(2-diphenylphosphoryl-1-naphthalen-1-ylethyl)acetamide?
The IUPAC name of N-(2-diphenylphosphoryl-1-naphthalen-1-ylethyl)acetamide (CID 175087206) is N-(2-diphenylphosphoryl-1-naphthalen-1-ylethyl)acetamide.
What is the SMILES notation for N-(2-diphenylphosphoryl-1-naphthalen-1-ylethyl)acetamide?
The canonical SMILES for N-(2-diphenylphosphoryl-1-naphthalen-1-ylethyl)acetamide is CC(=O)NC(CP(=O)(c1ccccc1)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-(2-diphenylphosphoryl-1-naphthalen-1-ylethyl)acetamide?
The InChIKey is OZBSUMSMTQHPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24NO2P/c1-20(28)27-26(25-18-10-12-21-11-8-9-17-24(21)25)19-30(29,22-13-4-2-5-14-22)23-15-6-3-7-16-23/h2-18,26H,19H2,1H3,(H,27,28).
What are the key properties of N-(2-diphenylphosphoryl-1-naphthalen-1-ylethyl)acetamide?
N-(2-diphenylphosphoryl-1-naphthalen-1-ylethyl)acetamide has a molecular weight of 413.46 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diphenylphosphoryl-1-naphthalen-1-ylethyl)acetamide is sourced from PubChem (CID 175087206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).