N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide

C22H28N2O3 — CID 51728109

IUPACN-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCOc1ccc([C@H]2CCCN2CC(=O)N(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-23(15-17-8-5-4-6-9-17)22(25)16-24-13-7-10-19(24)18-11-12-20(26-2)21(14-18)27-3/h4-6,8-9,11-12,14,19H,7,10,13,15-16H2,1-3H3/t19-/m1/s1
InChIKeyQVQGUEFBKWLYRW-LJQANCHMSA-N
MW368.48 g/mol
LogP3.50
Rot. Bonds7

About N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide

N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 51728109) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
PubChem CID51728109
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCOc1ccc([C@H]2CCCN2CC(=O)N(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-23(15-17-8-5-4-6-9-17)22(25)16-24-13-7-10-19(24)18-11-12-20(26-2)21(14-18)27-3/h4-6,8-9,11-12,14,19H,7,10,13,15-16H2,1-3H3/t19-/m1/s1
InChIKeyQVQGUEFBKWLYRW-LJQANCHMSA-N
XLogP3.50
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide 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-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78788236
N-[(3-chlorophenyl)methyl]-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 26522130
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 8833800
N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 78942574
3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide
CID 136576676
1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine
CID 134001152
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119927034
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 78894098
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 134001135
N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide
CID 62656234
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 32574099
N-[(2-bromophenyl)methyl]-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 42921590

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide (CID 51728109) is N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide is COc1ccc([C@H]2CCCN2CC(=O)N(C)Cc2ccccc2)cc1OC.
What is the InChIKey of N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is QVQGUEFBKWLYRW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-23(15-17-8-5-4-6-9-17)22(25)16-24-13-7-10-19(24)18-11-12-20(26-2)21(14-18)27-3/h4-6,8-9,11-12,14,19H,7,10,13,15-16H2,1-3H3/t19-/m1/s1.
What are the key properties of N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide?
N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 368.48 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 51728109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).