2-[5-(4-benzoylphenyl)-2-hydroxypentoxy]-N-benzylbenzamide

C32H31NO4 — CID 140750924

IUPAC2-[5-(4-benzoylphenyl)-2-hydroxypentoxy]-N-benzylbenzamide
SMILESO=C(c1ccccc1)c1ccc(CCCC(O)COc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C32H31NO4/c34-28(15-9-12-24-18-20-27(21-19-24)31(35)26-13-5-2-6-14-26)23-37-30-17-8-7-16-29(30)32(36)33-22-25-10-3-1-4-11-25/h1-8,10-11,13-14,16-21,28,34H,9,12,15,22-23H2,(H,33,36)
InChIKeyMSVQOECUCZQEKB-UHFFFAOYSA-N
MW493.60 g/mol
LogP5.61
Rot. Bonds12

About 2-[5-(4-benzoylphenyl)-2-hydroxypentoxy]-N-benzylbenzamide

2-[5-(4-benzoylphenyl)-2-hydroxypentoxy]-N-benzylbenzamide (PubChem CID 140750924) has the molecular formula C32H31NO4 and a molecular weight of 493.60 g/mol. Its IUPAC name is 2-[5-(4-benzoylphenyl)-2-hydroxypentoxy]-N-benzylbenzamide.

Molecular Properties

Compound Name2-[5-(4-benzoylphenyl)-2-hydroxypentoxy]-N-benzylbenzamide
PubChem CID140750924
Molecular FormulaC32H31NO4
Molecular Weight493.60 g/mol
Exact Mass493.23
IUPAC Name2-[5-(4-benzoylphenyl)-2-hydroxypentoxy]-N-benzylbenzamide
SMILESO=C(c1ccccc1)c1ccc(CCCC(O)COc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C32H31NO4/c34-28(15-9-12-24-18-20-27(21-19-24)31(35)26-13-5-2-6-14-26)23-37-30-17-8-7-16-29(30)32(36)33-22-25-10-3-1-4-11-25/h1-8,10-11,13-14,16-21,28,34H,9,12,15,22-23H2,(H,33,36)
InChIKeyMSVQOECUCZQEKB-UHFFFAOYSA-N
XLogP5.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.60
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-benzoylphenyl)-2-hydroxypentoxy]-N-benzylbenzamide?
The IUPAC name of 2-[5-(4-benzoylphenyl)-2-hydroxypentoxy]-N-benzylbenzamide (CID 140750924) is 2-[5-(4-benzoylphenyl)-2-hydroxypentoxy]-N-benzylbenzamide.
What is the SMILES notation for 2-[5-(4-benzoylphenyl)-2-hydroxypentoxy]-N-benzylbenzamide?
The canonical SMILES for 2-[5-(4-benzoylphenyl)-2-hydroxypentoxy]-N-benzylbenzamide is O=C(c1ccccc1)c1ccc(CCCC(O)COc2ccccc2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of 2-[5-(4-benzoylphenyl)-2-hydroxypentoxy]-N-benzylbenzamide?
The InChIKey is MSVQOECUCZQEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31NO4/c34-28(15-9-12-24-18-20-27(21-19-24)31(35)26-13-5-2-6-14-26)23-37-30-17-8-7-16-29(30)32(36)33-22-25-10-3-1-4-11-25/h1-8,10-11,13-14,16-21,28,34H,9,12,15,22-23H2,(H,33,36).
What are the key properties of 2-[5-(4-benzoylphenyl)-2-hydroxypentoxy]-N-benzylbenzamide?
2-[5-(4-benzoylphenyl)-2-hydroxypentoxy]-N-benzylbenzamide has a molecular weight of 493.60 g/mol, XLogP of 5.61, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-benzoylphenyl)-2-hydroxypentoxy]-N-benzylbenzamide is sourced from PubChem (CID 140750924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).