2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide

C23H30N2O2 — CID 98483129

IUPAC2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
SMILESCCOc1ccc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2C)cc1
InChIInChI=1S/C23H30N2O2/c1-4-27-20-13-11-19(12-14-20)22-10-7-15-25(22)16-23(26)24-18(3)21-9-6-5-8-17(21)2/h5-6,8-9,11-14,18,22H,4,7,10,15-16H2,1-3H3,(H,24,26)/t18-,22+/m1/s1
InChIKeyWKAOWMZUJYSYOS-GCJKJVERSA-N
MW366.51 g/mol
LogP4.41
Rot. Bonds7

About 2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide

2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide (PubChem CID 98483129) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
PubChem CID98483129
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
SMILESCCOc1ccc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2C)cc1
InChIInChI=1S/C23H30N2O2/c1-4-27-20-13-11-19(12-14-20)22-10-7-15-25(22)16-23(26)24-18(3)21-9-6-5-8-17(21)2/h5-6,8-9,11-14,18,22H,4,7,10,15-16H2,1-3H3,(H,24,26)/t18-,22+/m1/s1
InChIKeyWKAOWMZUJYSYOS-GCJKJVERSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 26546536
2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 98482252
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 47014126
N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 46615258
2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 26671200
N-(2,6-dimethylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41448251
2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 46549067
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 112806435
ethyl 1-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 47010681
2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26520991
2-(cyclopentylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81380629
2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide
CID 18094941

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide (CID 98483129) is 2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide is CCOc1ccc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2C)cc1.
What is the InChIKey of 2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide?
The InChIKey is WKAOWMZUJYSYOS-GCJKJVERSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-27-20-13-11-19(12-14-20)22-10-7-15-25(22)16-23(26)24-18(3)21-9-6-5-8-17(21)2/h5-6,8-9,11-14,18,22H,4,7,10,15-16H2,1-3H3,(H,24,26)/t18-,22+/m1/s1.
What are the key properties of 2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide?
2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide has a molecular weight of 366.51 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 98483129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).