N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide

C19H22N2O2 — CID 55376410

IUPACN-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(Cc3ccccc3)C2)c(O)c1
InChIInChI=1S/C19H22N2O2/c1-14-7-8-17(18(22)11-14)19(23)20-16-9-10-21(13-16)12-15-5-3-2-4-6-15/h2-8,11,16,22H,9-10,12-13H2,1H3,(H,20,23)
InChIKeyCVPSQBSLSMNEBL-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.70
Rot. Bonds4

About N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide

N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide (PubChem CID 55376410) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide
PubChem CID55376410
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(Cc3ccccc3)C2)c(O)c1
InChIInChI=1S/C19H22N2O2/c1-14-7-8-17(18(22)11-14)19(23)20-16-9-10-21(13-16)12-15-5-3-2-4-6-15/h2-8,11,16,22H,9-10,12-13H2,1H3,(H,20,23)
InChIKeyCVPSQBSLSMNEBL-UHFFFAOYSA-N
XLogP2.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
N-(1-benzylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 75874280
N-(1-benzylpyrrolidin-3-yl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 55378288
2-hydroxy-4-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 60664803
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 39966113
1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea
CID 23905235
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-(1-benzylpyrrolidin-3-yl)-2-bromo-5-fluorobenzamide
CID 18156414

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide (CID 55376410) is N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)C2)c(O)c1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide?
The InChIKey is CVPSQBSLSMNEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-7-8-17(18(22)11-14)19(23)20-16-9-10-21(13-16)12-15-5-3-2-4-6-15/h2-8,11,16,22H,9-10,12-13H2,1H3,(H,20,23).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide?
N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide has a molecular weight of 310.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 55376410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).