N-[2-(4-Hydroxy-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide

C28H25NO2 — CID 10250831

IUPACN-[2-(4-hydroxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide
SMILESC1=CC=C(C=C1)C(CC2=CC=C(C=C2)O)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChIInChI=1S/C28H25NO2/c30-25-18-16-21(17-19-25)20-26(22-10-4-1-5-11-22)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)
InChIKeyIODVRLYNAUHWGQ-UHFFFAOYSA-N
MW407.50 g/mol
LogP6.00
Rot. Bonds7

About N-[2-(4-Hydroxy-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide

N-[2-(4-Hydroxy-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide (PubChem CID 10250831) has the molecular formula C28H25NO2 and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-(4-Hydroxy-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide
PubChem CID10250831
Molecular FormulaC28H25NO2
Molecular Weight407.50 g/mol
Exact Mass407.19
IUPAC NameN-[2-(4-hydroxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide
SMILESC1=CC=C(C=C1)C(CC2=CC=C(C=C2)O)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChIInChI=1S/C28H25NO2/c30-25-18-16-21(17-19-25)20-26(22-10-4-1-5-11-22)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)
InChIKeyIODVRLYNAUHWGQ-UHFFFAOYSA-N
XLogP6.00
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity505

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Bibp 3226
CID 5311023
benzylcarbonyl-Tyr-Val-DL-Tyr-al
CID 44390976
N-(2-(4-Hydroxyphenyl)ethyl)benzamide
CID 577614
(3S,6S)-3-Benzyl-6-(4-Hydroxy-Benzyl)-Piperazine-2,5-Dione
CID 11438306
Bibp-3435
CID 9869458
Tyr-(S)-Aba-Gly-Phe-NH2
CID 24755070
(S)-2-Amino-N-{1-[(S)-1-((R)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-ethyl}-3-(4-hydroxy-phenyl)-propionamide
CID 9937285
H-Tyr-Ala-Phe-Phe-NH2
CID 16760005
Tyr-(R)-Aba-Gly-Phe-NH2
CID 24755140
Tyr-Pro-Phe-Phg-NH2
CID 44413074
Tyr-Pro-Phe-D-Phg-NH2
CID 44413117
Tyr-Pro-Phg-Phe-NH2
CID 44413203

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-Hydroxy-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide?
The IUPAC name of N-[2-(4-Hydroxy-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide (CID 10250831) is N-[2-(4-hydroxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-(4-Hydroxy-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide?
The canonical SMILES for N-[2-(4-Hydroxy-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide is C1=CC=C(C=C1)C(CC2=CC=C(C=C2)O)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.
What is the InChIKey of N-[2-(4-Hydroxy-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide?
The InChIKey is IODVRLYNAUHWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO2/c30-25-18-16-21(17-19-25)20-26(22-10-4-1-5-11-22)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-[2-(4-Hydroxy-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide?
N-[2-(4-Hydroxy-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide has a molecular weight of 407.50 g/mol, XLogP of 6.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-Hydroxy-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide is sourced from PubChem (CID 10250831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).