N-(2,4-dihydroxyphenyl)-3,3-diphenylpropanamide

C21H19NO3 — CID 22733417

IUPACN-(2,4-dihydroxyphenyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(O)cc1O
InChIInChI=1S/C21H19NO3/c23-17-11-12-19(20(24)13-17)22-21(25)14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18,23-24H,14H2,(H,22,25)
InChIKeyAVFUIUJTGRPLGJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.26
Rot. Bonds5

About N-(2,4-dihydroxyphenyl)-3,3-diphenylpropanamide

N-(2,4-dihydroxyphenyl)-3,3-diphenylpropanamide (PubChem CID 22733417) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2,4-dihydroxyphenyl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(2,4-dihydroxyphenyl)-3,3-diphenylpropanamide
PubChem CID22733417
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC NameN-(2,4-dihydroxyphenyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(O)cc1O
InChIInChI=1S/C21H19NO3/c23-17-11-12-19(20(24)13-17)22-21(25)14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18,23-24H,14H2,(H,22,25)
InChIKeyAVFUIUJTGRPLGJ-UHFFFAOYSA-N
XLogP4.26
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dihydroxyphenyl)-3,3-diphenylpropanamide?
The IUPAC name of N-(2,4-dihydroxyphenyl)-3,3-diphenylpropanamide (CID 22733417) is N-(2,4-dihydroxyphenyl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(2,4-dihydroxyphenyl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(2,4-dihydroxyphenyl)-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(O)cc1O.
What is the InChIKey of N-(2,4-dihydroxyphenyl)-3,3-diphenylpropanamide?
The InChIKey is AVFUIUJTGRPLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-17-11-12-19(20(24)13-17)22-21(25)14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18,23-24H,14H2,(H,22,25).
What are the key properties of N-(2,4-dihydroxyphenyl)-3,3-diphenylpropanamide?
N-(2,4-dihydroxyphenyl)-3,3-diphenylpropanamide has a molecular weight of 333.39 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dihydroxyphenyl)-3,3-diphenylpropanamide is sourced from PubChem (CID 22733417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).