3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide

C15H22N2O3 — CID 103892120

IUPAC3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1cc(O)cc(O)c1)CN1CCCC1
InChIInChI=1S/C15H22N2O3/c1-11(10-17-4-2-3-5-17)9-16-15(20)12-6-13(18)8-14(19)7-12/h6-8,11,18-19H,2-5,9-10H2,1H3,(H,16,20)
InChIKeyBNSICCIOFRPMLQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.56
Rot. Bonds5

About 3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide

3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 103892120) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID103892120
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1cc(O)cc(O)c1)CN1CCCC1
InChIInChI=1S/C15H22N2O3/c1-11(10-17-4-2-3-5-17)9-16-15(20)12-6-13(18)8-14(19)7-12/h6-8,11,18-19H,2-5,9-10H2,1H3,(H,16,20)
InChIKeyBNSICCIOFRPMLQ-UHFFFAOYSA-N
XLogP1.56
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992034
3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 107703759
5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
CID 61061664
5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide
CID 54907003
4-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 81295079
3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 107999448
2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 61292554
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55835773
5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 47308839
N-(2-methyl-3-piperidin-1-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47292410
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
3-fluoro-4-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 86824610

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide (CID 103892120) is 3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide is CC(CNC(=O)c1cc(O)cc(O)c1)CN1CCCC1.
What is the InChIKey of 3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is BNSICCIOFRPMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(10-17-4-2-3-5-17)9-16-15(20)12-6-13(18)8-14(19)7-12/h6-8,11,18-19H,2-5,9-10H2,1H3,(H,16,20).
What are the key properties of 3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 103892120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).