N-(3,3-diphenylpropyl)-2-(4-hydroxyphenyl)-2-phenylacetamide

C29H27NO2 — CID 44578655

IUPACN-(3,3-diphenylpropyl)-2-(4-hydroxyphenyl)-2-phenylacetamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C29H27NO2/c31-26-18-16-25(17-19-26)28(24-14-8-3-9-15-24)29(32)30-21-20-27(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19,27-28,31H,20-21H2,(H,30,32)
InChIKeyPUNUOYSYEBMZFP-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.86
Rot. Bonds8

About N-(3,3-diphenylpropyl)-2-(4-hydroxyphenyl)-2-phenylacetamide

N-(3,3-diphenylpropyl)-2-(4-hydroxyphenyl)-2-phenylacetamide (PubChem CID 44578655) has the molecular formula C29H27NO2 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-(4-hydroxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-(4-hydroxyphenyl)-2-phenylacetamide
PubChem CID44578655
Molecular FormulaC29H27NO2
Molecular Weight421.54 g/mol
Exact Mass421.20
IUPAC NameN-(3,3-diphenylpropyl)-2-(4-hydroxyphenyl)-2-phenylacetamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C29H27NO2/c31-26-18-16-25(17-19-26)28(24-14-8-3-9-15-24)29(32)30-21-20-27(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19,27-28,31H,20-21H2,(H,30,32)
InChIKeyPUNUOYSYEBMZFP-UHFFFAOYSA-N
XLogP5.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-(4-hydroxyphenyl)-2-phenylacetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-(4-hydroxyphenyl)-2-phenylacetamide (CID 44578655) is N-(3,3-diphenylpropyl)-2-(4-hydroxyphenyl)-2-phenylacetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-(4-hydroxyphenyl)-2-phenylacetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-(4-hydroxyphenyl)-2-phenylacetamide is O=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-(4-hydroxyphenyl)-2-phenylacetamide?
The InChIKey is PUNUOYSYEBMZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO2/c31-26-18-16-25(17-19-26)28(24-14-8-3-9-15-24)29(32)30-21-20-27(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19,27-28,31H,20-21H2,(H,30,32).
What are the key properties of N-(3,3-diphenylpropyl)-2-(4-hydroxyphenyl)-2-phenylacetamide?
N-(3,3-diphenylpropyl)-2-(4-hydroxyphenyl)-2-phenylacetamide has a molecular weight of 421.54 g/mol, XLogP of 5.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-(4-hydroxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 44578655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).