3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide

C17H19NO3 — CID 58875625

IUPAC3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide
SMILESCc1cc(CCC(=O)Nc2ccc(O)cc2)cc(C)c1O
InChIInChI=1S/C17H19NO3/c1-11-9-13(10-12(2)17(11)21)3-8-16(20)18-14-4-6-15(19)7-5-14/h4-7,9-10,19,21H,3,8H2,1-2H3,(H,18,20)
InChIKeySHPWEOSRUNUTSR-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.29
Rot. Bonds4

About 3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide

3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide (PubChem CID 58875625) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide
PubChem CID58875625
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide
SMILESCc1cc(CCC(=O)Nc2ccc(O)cc2)cc(C)c1O
InChIInChI=1S/C17H19NO3/c1-11-9-13(10-12(2)17(11)21)3-8-16(20)18-14-4-6-15(19)7-5-14/h4-7,9-10,19,21H,3,8H2,1-2H3,(H,18,20)
InChIKeySHPWEOSRUNUTSR-UHFFFAOYSA-N
XLogP3.29
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
N-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 56659537
N,3-bis(4-methylphenyl)propanamide
CID 19220434
3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide
CID 20728649
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide
CID 58729892
3-amino-N-(4-hydroxyphenyl)propanamide
CID 43710647
N'-(3,4-dihydroxyphenyl)-N-(4-hydroxyphenyl)butanediamide
CID 142837694
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide
CID 123525070
1,3-dimethyl-5-[3-oxo-3-[4-(sulfinatoamino)anilino]propyl]benzene
CID 157122355
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide?
The IUPAC name of 3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide (CID 58875625) is 3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide is Cc1cc(CCC(=O)Nc2ccc(O)cc2)cc(C)c1O.
What is the InChIKey of 3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide?
The InChIKey is SHPWEOSRUNUTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-9-13(10-12(2)17(11)21)3-8-16(20)18-14-4-6-15(19)7-5-14/h4-7,9-10,19,21H,3,8H2,1-2H3,(H,18,20).
What are the key properties of 3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide?
3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide has a molecular weight of 285.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 58875625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).