3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide

C16H17NO4 — CID 107861182

IUPAC3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1cc(O)cc(O)c1
InChIInChI=1S/C16H17NO4/c18-10-13(6-11-4-2-1-3-5-11)17-16(21)12-7-14(19)9-15(20)8-12/h1-5,7-9,13,18-20H,6,10H2,(H,17,21)/t13-/m1/s1
InChIKeyFAMRVAPVNVMZRA-CYBMUJFWSA-N
MW287.32 g/mol
LogP1.43
Rot. Bonds5

About 3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide

3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide (PubChem CID 107861182) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
PubChem CID107861182
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1cc(O)cc(O)c1
InChIInChI=1S/C16H17NO4/c18-10-13(6-11-4-2-1-3-5-11)17-16(21)12-7-14(19)9-15(20)8-12/h1-5,7-9,13,18-20H,6,10H2,(H,17,21)/t13-/m1/s1
InChIKeyFAMRVAPVNVMZRA-CYBMUJFWSA-N
XLogP1.43
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
3,4-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102103629
2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
2-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-1H-pyridine-4-carboxamide
CID 63261027
3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide
CID 102673606
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
3-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260610
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide
CID 107861091
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 39086919
3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide
CID 104852694
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide (CID 107861182) is 3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide is O=C(N[C@@H](CO)Cc1ccccc1)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The InChIKey is FAMRVAPVNVMZRA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17NO4/c18-10-13(6-11-4-2-1-3-5-11)17-16(21)12-7-14(19)9-15(20)8-12/h1-5,7-9,13,18-20H,6,10H2,(H,17,21)/t13-/m1/s1.
What are the key properties of 3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide has a molecular weight of 287.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 107861182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).