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

C14H20N2O3 — CID 107703759

IUPAC3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(CN1CCCC1)NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H20N2O3/c1-10(9-16-4-2-3-5-16)15-14(19)11-6-12(17)8-13(18)7-11/h6-8,10,17-18H,2-5,9H2,1H3,(H,15,19)
InChIKeyQWKKGMWBVFJJRQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.31
Rot. Bonds4

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

3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide (PubChem CID 107703759) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
PubChem CID107703759
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(CN1CCCC1)NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H20N2O3/c1-10(9-16-4-2-3-5-16)15-14(19)11-6-12(17)8-13(18)7-11/h6-8,10,17-18H,2-5,9H2,1H3,(H,15,19)
InChIKeyQWKKGMWBVFJJRQ-UHFFFAOYSA-N
XLogP1.31
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 103892120
3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 103826722
methyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate
CID 122565746
N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025389
3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 54937836
5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 78950186
2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 61217354
3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851488
4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435
3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 104938945
3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide
CID 91649720
3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 104939035

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide (CID 107703759) is 3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide is CC(CN1CCCC1)NC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The InChIKey is QWKKGMWBVFJJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(9-16-4-2-3-5-16)15-14(19)11-6-12(17)8-13(18)7-11/h6-8,10,17-18H,2-5,9H2,1H3,(H,15,19).
What are the key properties of 3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide has a molecular weight of 264.32 g/mol, XLogP of 1.31, 4 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-pyrrolidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 107703759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).