3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide

C20H24N2O3 — CID 136576676

IUPAC3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide
SMILESCOc1ccc(C2CCCN2Cc2cccc(C(N)=O)c2)cc1OC
InChIInChI=1S/C20H24N2O3/c1-24-18-9-8-15(12-19(18)25-2)17-7-4-10-22(17)13-14-5-3-6-16(11-14)20(21)23/h3,5-6,8-9,11-12,17H,4,7,10,13H2,1-2H3,(H2,21,23)
InChIKeyDPVTZKDZTHDVGZ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.14
Rot. Bonds6

About 3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide

3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide (PubChem CID 136576676) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide
PubChem CID136576676
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide
SMILESCOc1ccc(C2CCCN2Cc2cccc(C(N)=O)c2)cc1OC
InChIInChI=1S/C20H24N2O3/c1-24-18-9-8-15(12-19(18)25-2)17-7-4-10-22(17)13-14-5-3-6-16(11-14)20(21)23/h3,5-6,8-9,11-12,17H,4,7,10,13H2,1-2H3,(H2,21,23)
InChIKeyDPVTZKDZTHDVGZ-UHFFFAOYSA-N
XLogP3.14
TPSA64.79 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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 134001112
methyl 3-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoate
CID 56906374
N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 51728109
3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride
CID 119928553
1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine
CID 134001152
5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid
CID 77079933
ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate
CID 115280703
3-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 55989879
4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide
CID 51476383
3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide
CID 126787531
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119911778
5-[[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 92613045

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of 3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide (CID 136576676) is 3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide is COc1ccc(C2CCCN2Cc2cccc(C(N)=O)c2)cc1OC.
What is the InChIKey of 3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide?
The InChIKey is DPVTZKDZTHDVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-18-9-8-15(12-19(18)25-2)17-7-4-10-22(17)13-14-5-3-6-16(11-14)20(21)23/h3,5-6,8-9,11-12,17H,4,7,10,13H2,1-2H3,(H2,21,23).
What are the key properties of 3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide?
3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 136576676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).