N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide

C20H24N2O3 — CID 18156341

IUPACN-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NC2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C20H24N2O3/c1-24-17-8-9-19(25-2)18(12-17)20(23)21-16-10-11-22(14-16)13-15-6-4-3-5-7-15/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyHVLOJOZCYWIBSP-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.71
Rot. Bonds6

About N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide

N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide (PubChem CID 18156341) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
PubChem CID18156341
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NC2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C20H24N2O3/c1-24-17-8-9-19(25-2)18(12-17)20(23)21-16-10-11-22(14-16)13-15-6-4-3-5-7-15/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyHVLOJOZCYWIBSP-UHFFFAOYSA-N
XLogP2.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide 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

2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide
CID 118784879
N-(1-benzylpyrrolidin-3-yl)-4-(cyclopropanecarbonylamino)-5-iodo-2-methoxybenzamide
CID 70269256
4-benzamido-N-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-2-methoxybenzamide
CID 10623982
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(2-methylpropanoylamino)benzamide
CID 10836365
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide
CID 55644626
N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide
CID 55376410
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]benzamide
CID 12861966
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide
CID 25325208
2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
CID 25449017
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide (CID 18156341) is N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NC2CCN(Cc3ccccc3)C2)c1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide?
The InChIKey is HVLOJOZCYWIBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-17-8-9-19(25-2)18(12-17)20(23)21-16-10-11-22(14-16)13-15-6-4-3-5-7-15/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide?
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide has a molecular weight of 340.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 18156341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).