N-(3,3-diphenylpropyl)-2-hydroxy-2,2-diphenylacetamide

C29H27NO2 — CID 44578576

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

About N-(3,3-diphenylpropyl)-2-hydroxy-2,2-diphenylacetamide

N-(3,3-diphenylpropyl)-2-hydroxy-2,2-diphenylacetamide (PubChem CID 44578576) has the molecular formula C29H27NO2 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-hydroxy-2,2-diphenylacetamide
PubChem CID44578576
Molecular FormulaC29H27NO2
Molecular Weight421.54 g/mol
Exact Mass421.20
IUPAC NameN-(3,3-diphenylpropyl)-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H27NO2/c31-28(29(32,25-17-9-3-10-18-25)26-19-11-4-12-20-26)30-22-21-27(23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-20,27,32H,21-22H2,(H,30,31)
InChIKeyOAJFKXVFJAPTQM-UHFFFAOYSA-N
XLogP5.26
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 ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-((1-Ethyl-2-pyrrolidinyl)methyl)-alpha-hydroxy-alpha-phenylbenzeneacetamide
CID 68862
(R)-1-(4-Aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone
CID 15888011
N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
(R)-1-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
CID 9799291
(2R)-2-cyclopentyl-2-hydroxy-N-[1-(4-methylpent-3-enyl)-4-piperidinyl]-2-phenylacetamide
CID 9821459
N-(1-Cyclohexylmethyl-piperidin-4-yl)-2-cyclopentyl-2-hydroxy-2-phenyl-acetamide
CID 10739662
N-[3-(4-Cyano-4-phenyl-piperidin-1-yl)-propyl]-2-hydroxy-2,2-di-p-tolyl-acetamide
CID 44301681
(R)-1-(4-Aminomethyl-piperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenyl-ethanone
CID 44308861
(R)-1-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-cyclopentyl-2-hydroxy-2-phenyl-ethanone
CID 44308899
(R)-1-(4-Aminomethyl-piperidin-1-yl)-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
CID 44309153
2-(4-Hydroxyphenyl)-2-phenyl-N-(3,3-diphenylpropyl)-acetamide
CID 44578655

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-hydroxy-2,2-diphenylacetamide (CID 44578576) is N-(3,3-diphenylpropyl)-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-hydroxy-2,2-diphenylacetamide is O=C(NCCC(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is OAJFKXVFJAPTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO2/c31-28(29(32,25-17-9-3-10-18-25)26-19-11-4-12-20-26)30-22-21-27(23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-20,27,32H,21-22H2,(H,30,31).
What are the key properties of N-(3,3-diphenylpropyl)-2-hydroxy-2,2-diphenylacetamide?
N-(3,3-diphenylpropyl)-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 421.54 g/mol, XLogP of 5.26, 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-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 44578576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).