N,3-dihydroxy-3-phenylpropanamide

C9H11NO3 — CID 71721720

IUPACN,3-dihydroxy-3-phenylpropanamide
SMILESO=C(CC(O)c1ccccc1)NO
InChIInChI=1S/C9H11NO3/c11-8(6-9(12)10-13)7-4-2-1-3-5-7/h1-5,8,11,13H,6H2,(H,10,12)
InChIKeyKMRDEISJTGZABX-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.62
Rot. Bonds3

About N,3-dihydroxy-3-phenylpropanamide

N,3-dihydroxy-3-phenylpropanamide (PubChem CID 71721720) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is N,3-dihydroxy-3-phenylpropanamide.

Molecular Properties

Compound NameN,3-dihydroxy-3-phenylpropanamide
PubChem CID71721720
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC NameN,3-dihydroxy-3-phenylpropanamide
SMILESO=C(CC(O)c1ccccc1)NO
InChIInChI=1S/C9H11NO3/c11-8(6-9(12)10-13)7-4-2-1-3-5-7/h1-5,8,11,13H,6H2,(H,10,12)
InChIKeyKMRDEISJTGZABX-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
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,3-dihydroxy-3-phenylpropanamide?
The IUPAC name of N,3-dihydroxy-3-phenylpropanamide (CID 71721720) is N,3-dihydroxy-3-phenylpropanamide.
What is the SMILES notation for N,3-dihydroxy-3-phenylpropanamide?
The canonical SMILES for N,3-dihydroxy-3-phenylpropanamide is O=C(CC(O)c1ccccc1)NO.
What is the InChIKey of N,3-dihydroxy-3-phenylpropanamide?
The InChIKey is KMRDEISJTGZABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-8(6-9(12)10-13)7-4-2-1-3-5-7/h1-5,8,11,13H,6H2,(H,10,12).
What are the key properties of N,3-dihydroxy-3-phenylpropanamide?
N,3-dihydroxy-3-phenylpropanamide has a molecular weight of 181.19 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-3-phenylpropanamide is sourced from PubChem (CID 71721720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).