3-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide

C22H28N2O2 — CID 55989879

IUPAC3-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCCOc1ccc(C2CCCN2Cc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C22H28N2O2/c1-4-26-20-12-10-18(11-13-20)21-9-6-14-24(21)16-17-7-5-8-19(15-17)22(25)23(2)3/h5,7-8,10-13,15,21H,4,6,9,14,16H2,1-3H3
InChIKeyXWGPHBZCBPYCJN-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.12
Rot. Bonds6

About 3-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide

3-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide (PubChem CID 55989879) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
PubChem CID55989879
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCCOc1ccc(C2CCCN2Cc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C22H28N2O2/c1-4-26-20-12-10-18(11-13-20)21-9-6-14-24(21)16-17-7-5-8-19(15-17)22(25)23(2)3/h5,7-8,10-13,15,21H,4,6,9,14,16H2,1-3H3
InChIKeyXWGPHBZCBPYCJN-UHFFFAOYSA-N
XLogP4.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 110901980
methyl 3-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoate
CID 56906374
3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide
CID 136576676
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 47014126
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 120771242
7-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17448130
1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 20895836
3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 129446978
2-(4-methoxyphenyl)-1-[(3-nitrophenyl)methyl]pyrrolidine
CID 46266484
3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 51926331
ethyl 6-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 24567953
2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
CID 98483129

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide (CID 55989879) is 3-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide is CCOc1ccc(C2CCCN2Cc2cccc(C(=O)N(C)C)c2)cc1.
What is the InChIKey of 3-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide?
The InChIKey is XWGPHBZCBPYCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-26-20-12-10-18(11-13-20)21-9-6-14-24(21)16-17-7-5-8-19(15-17)22(25)23(2)3/h5,7-8,10-13,15,21H,4,6,9,14,16H2,1-3H3.
What are the key properties of 3-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide?
3-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide has a molecular weight of 352.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 55989879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).