N-hydroxy-3-(4-hydroxyphenyl)propanamide

C9H11NO3 — CID 15499633

IUPACN-hydroxy-3-(4-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccc(O)cc1)NO
InChIInChI=1S/C9H11NO3/c11-8-4-1-7(2-5-8)3-6-9(12)10-13/h1-2,4-5,11,13H,3,6H2,(H,10,12)
InChIKeyVLCFOSLTBCJPAO-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.83
Rot. Bonds3

About N-hydroxy-3-(4-hydroxyphenyl)propanamide

N-hydroxy-3-(4-hydroxyphenyl)propanamide (PubChem CID 15499633) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-hydroxy-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-hydroxy-3-(4-hydroxyphenyl)propanamide
PubChem CID15499633
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC NameN-hydroxy-3-(4-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccc(O)cc1)NO
InChIInChI=1S/C9H11NO3/c11-8-4-1-7(2-5-8)3-6-9(12)10-13/h1-2,4-5,11,13H,3,6H2,(H,10,12)
InChIKeyVLCFOSLTBCJPAO-UHFFFAOYSA-N
XLogP0.83
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of N-hydroxy-3-(4-hydroxyphenyl)propanamide (CID 15499633) is N-hydroxy-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-hydroxy-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for N-hydroxy-3-(4-hydroxyphenyl)propanamide is O=C(CCc1ccc(O)cc1)NO.
What is the InChIKey of N-hydroxy-3-(4-hydroxyphenyl)propanamide?
The InChIKey is VLCFOSLTBCJPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-8-4-1-7(2-5-8)3-6-9(12)10-13/h1-2,4-5,11,13H,3,6H2,(H,10,12).
What are the key properties of N-hydroxy-3-(4-hydroxyphenyl)propanamide?
N-hydroxy-3-(4-hydroxyphenyl)propanamide has a molecular weight of 181.19 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 15499633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).