N-[1-(4-hydroxyphenyl)-2-phenylethyl]-2,2-diphenylacetamide

C28H25NO2 — CID 10046989

IUPACN-[1-(4-hydroxyphenyl)-2-phenylethyl]-2,2-diphenylacetamide
SMILESO=C(NC(Cc1ccccc1)c1ccc(O)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H25NO2/c30-25-18-16-22(17-19-25)26(20-21-10-4-1-5-11-21)29-28(31)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19,26-27,30H,20H2,(H,29,31)
InChIKeyCYLSAWUUFJEGFC-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.62
Rot. Bonds7

About N-[1-(4-hydroxyphenyl)-2-phenylethyl]-2,2-diphenylacetamide

N-[1-(4-hydroxyphenyl)-2-phenylethyl]-2,2-diphenylacetamide (PubChem CID 10046989) has the molecular formula C28H25NO2 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)-2-phenylethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)-2-phenylethyl]-2,2-diphenylacetamide
PubChem CID10046989
Molecular FormulaC28H25NO2
Molecular Weight407.51 g/mol
Exact Mass407.19
IUPAC NameN-[1-(4-hydroxyphenyl)-2-phenylethyl]-2,2-diphenylacetamide
SMILESO=C(NC(Cc1ccccc1)c1ccc(O)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H25NO2/c30-25-18-16-22(17-19-25)26(20-21-10-4-1-5-11-21)29-28(31)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19,26-27,30H,20H2,(H,29,31)
InChIKeyCYLSAWUUFJEGFC-UHFFFAOYSA-N
XLogP5.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)-2-phenylethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)-2-phenylethyl]-2,2-diphenylacetamide (CID 10046989) is N-[1-(4-hydroxyphenyl)-2-phenylethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)-2-phenylethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)-2-phenylethyl]-2,2-diphenylacetamide is O=C(NC(Cc1ccccc1)c1ccc(O)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)-2-phenylethyl]-2,2-diphenylacetamide?
The InChIKey is CYLSAWUUFJEGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO2/c30-25-18-16-22(17-19-25)26(20-21-10-4-1-5-11-21)29-28(31)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19,26-27,30H,20H2,(H,29,31).
What are the key properties of N-[1-(4-hydroxyphenyl)-2-phenylethyl]-2,2-diphenylacetamide?
N-[1-(4-hydroxyphenyl)-2-phenylethyl]-2,2-diphenylacetamide has a molecular weight of 407.51 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)-2-phenylethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 10046989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).