3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide

C14H18N2O4 — CID 104938945

IUPAC3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1cc(O)cc(O)c1)C(=O)N1CCCC1
InChIInChI=1S/C14H18N2O4/c1-9(14(20)16-4-2-3-5-16)15-13(19)10-6-11(17)8-12(18)7-10/h6-9,17-18H,2-5H2,1H3,(H,15,19)
InChIKeyZIKUDGGKUUHDMD-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.84
Rot. Bonds3

About 3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide

3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide (PubChem CID 104938945) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
PubChem CID104938945
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1cc(O)cc(O)c1)C(=O)N1CCCC1
InChIInChI=1S/C14H18N2O4/c1-9(14(20)16-4-2-3-5-16)15-13(19)10-6-11(17)8-12(18)7-10/h6-9,17-18H,2-5H2,1H3,(H,15,19)
InChIKeyZIKUDGGKUUHDMD-UHFFFAOYSA-N
XLogP0.84
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 115596719
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 42702287
3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
4-hydroxy-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 103865363
3-hydroxy-4-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 115674973
5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 47468363
4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 115730315
3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 107703759
4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 103874932

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide (CID 104938945) is 3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide is CC(NC(=O)c1cc(O)cc(O)c1)C(=O)N1CCCC1.
What is the InChIKey of 3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The InChIKey is ZIKUDGGKUUHDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(14(20)16-4-2-3-5-16)15-13(19)10-6-11(17)8-12(18)7-10/h6-9,17-18H,2-5H2,1H3,(H,15,19).
What are the key properties of 3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide has a molecular weight of 278.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 104938945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).