3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide

C22H28N2O2 — CID 86952130

IUPAC3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1CCCC1c1cc(C)cc(C)c1
InChIInChI=1S/C22H28N2O2/c1-16-13-17(2)15-18(14-16)20-8-6-11-24(20)12-10-22(25)23-19-7-4-5-9-21(19)26-3/h4-5,7,9,13-15,20H,6,8,10-12H2,1-3H3,(H,23,25)
InChIKeyFDGLKLMKHCSVFU-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.48
Rot. Bonds6

About 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide

3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide (PubChem CID 86952130) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
PubChem CID86952130
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1CCCC1c1cc(C)cc(C)c1
InChIInChI=1S/C22H28N2O2/c1-16-13-17(2)15-18(14-16)20-8-6-11-24(20)12-10-22(25)23-19-7-4-5-9-21(19)26-3/h4-5,7,9,13-15,20H,6,8,10-12H2,1-3H3,(H,23,25)
InChIKeyFDGLKLMKHCSVFU-UHFFFAOYSA-N
XLogP4.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 124754771
3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 86952115
1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441726
(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 78894098
N-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 55482977
N-(2-methoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17436135
3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51471448
N-(2-methoxyphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928580
N-(2-methoxy-5-methylphenyl)-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51172175
N-(2-ethoxyphenyl)-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide
CID 91842043
3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 63282614

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide (CID 86952130) is 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCN1CCCC1c1cc(C)cc(C)c1.
What is the InChIKey of 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is FDGLKLMKHCSVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-13-17(2)15-18(14-16)20-8-6-11-24(20)12-10-22(25)23-19-7-4-5-9-21(19)26-3/h4-5,7,9,13-15,20H,6,8,10-12H2,1-3H3,(H,23,25).
What are the key properties of 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide?
3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 352.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 86952130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).