N-benzyl-3-hydroxy-3,3-diphenylpropanamide

C22H21NO2 — CID 10980465

IUPACN-benzyl-3-hydroxy-3,3-diphenylpropanamide
SMILESO=C(CC(O)(c1ccccc1)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C22H21NO2/c24-21(23-17-18-10-4-1-5-11-18)16-22(25,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,25H,16-17H2,(H,23,24)
InChIKeyNRIATCQNRFQKSF-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.63
Rot. Bonds6

About N-benzyl-3-hydroxy-3,3-diphenylpropanamide

N-benzyl-3-hydroxy-3,3-diphenylpropanamide (PubChem CID 10980465) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-benzyl-3-hydroxy-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-hydroxy-3,3-diphenylpropanamide
PubChem CID10980465
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-benzyl-3-hydroxy-3,3-diphenylpropanamide
SMILESO=C(CC(O)(c1ccccc1)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C22H21NO2/c24-21(23-17-18-10-4-1-5-11-18)16-22(25,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,25H,16-17H2,(H,23,24)
InChIKeyNRIATCQNRFQKSF-UHFFFAOYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-hydroxy-3,3-diphenylpropanamide?
The IUPAC name of N-benzyl-3-hydroxy-3,3-diphenylpropanamide (CID 10980465) is N-benzyl-3-hydroxy-3,3-diphenylpropanamide.
What is the SMILES notation for N-benzyl-3-hydroxy-3,3-diphenylpropanamide?
The canonical SMILES for N-benzyl-3-hydroxy-3,3-diphenylpropanamide is O=C(CC(O)(c1ccccc1)c1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-hydroxy-3,3-diphenylpropanamide?
The InChIKey is NRIATCQNRFQKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c24-21(23-17-18-10-4-1-5-11-18)16-22(25,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,25H,16-17H2,(H,23,24).
What are the key properties of N-benzyl-3-hydroxy-3,3-diphenylpropanamide?
N-benzyl-3-hydroxy-3,3-diphenylpropanamide has a molecular weight of 331.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-hydroxy-3,3-diphenylpropanamide is sourced from PubChem (CID 10980465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).