N-(4-hydroxyphenyl)-5-oxo-5-phenylpentanamide

C17H17NO3 — CID 6624492

IUPACN-(4-hydroxyphenyl)-5-oxo-5-phenylpentanamide
SMILESO=C(CCCC(=O)c1ccccc1)Nc1ccc(O)cc1
InChIInChI=1S/C17H17NO3/c19-15-11-9-14(10-12-15)18-17(21)8-4-7-16(20)13-5-2-1-3-6-13/h1-3,5-6,9-12,19H,4,7-8H2,(H,18,21)
InChIKeyCNUHBMXGZQLMPJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.38
Rot. Bonds6

About N-(4-hydroxyphenyl)-5-oxo-5-phenylpentanamide

N-(4-hydroxyphenyl)-5-oxo-5-phenylpentanamide (PubChem CID 6624492) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-5-oxo-5-phenylpentanamide
PubChem CID6624492
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(4-hydroxyphenyl)-5-oxo-5-phenylpentanamide
SMILESO=C(CCCC(=O)c1ccccc1)Nc1ccc(O)cc1
InChIInChI=1S/C17H17NO3/c19-15-11-9-14(10-12-15)18-17(21)8-4-7-16(20)13-5-2-1-3-6-13/h1-3,5-6,9-12,19H,4,7-8H2,(H,18,21)
InChIKeyCNUHBMXGZQLMPJ-UHFFFAOYSA-N
XLogP3.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-5-oxo-5-phenylpentanamide?
The IUPAC name of N-(4-hydroxyphenyl)-5-oxo-5-phenylpentanamide (CID 6624492) is N-(4-hydroxyphenyl)-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-(4-hydroxyphenyl)-5-oxo-5-phenylpentanamide is O=C(CCCC(=O)c1ccccc1)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-5-oxo-5-phenylpentanamide?
The InChIKey is CNUHBMXGZQLMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-15-11-9-14(10-12-15)18-17(21)8-4-7-16(20)13-5-2-1-3-6-13/h1-3,5-6,9-12,19H,4,7-8H2,(H,18,21).
What are the key properties of N-(4-hydroxyphenyl)-5-oxo-5-phenylpentanamide?
N-(4-hydroxyphenyl)-5-oxo-5-phenylpentanamide has a molecular weight of 283.33 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 6624492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).