N-(2-ethylphenyl)-2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide

C20H24N2O2 — CID 94178915

IUPACN-(2-ethylphenyl)-2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc(O)cc1
InChIInChI=1S/C20H24N2O2/c1-2-15-6-3-4-7-18(15)21-20(24)14-22-13-5-8-19(22)16-9-11-17(23)12-10-16/h3-4,6-7,9-12,19,23H,2,5,8,13-14H2,1H3,(H,21,24)/t19-/m0/s1
InChIKeyTZNKCXJOCKJLRG-IBGZPJMESA-N
MW324.42 g/mol
LogP3.73
Rot. Bonds5

About N-(2-ethylphenyl)-2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide

N-(2-ethylphenyl)-2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide (PubChem CID 94178915) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide
PubChem CID94178915
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(2-ethylphenyl)-2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc(O)cc1
InChIInChI=1S/C20H24N2O2/c1-2-15-6-3-4-7-18(15)21-20(24)14-22-13-5-8-19(22)16-9-11-17(23)12-10-16/h3-4,6-7,9-12,19,23H,2,5,8,13-14H2,1H3,(H,21,24)/t19-/m0/s1
InChIKeyTZNKCXJOCKJLRG-IBGZPJMESA-N
XLogP3.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-[(2R)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide
CID 95145263
N-(2-acetylphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456108
2-(2-phenylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18137719
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51340058
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8976124
N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 46615258
2-[[2-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 136514673
N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 26608344
N-(2,6-dimethylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41448251
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41359869
N-(2-acetylphenyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetamide
CID 9434897

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide (CID 94178915) is N-(2-ethylphenyl)-2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc(O)cc1.
What is the InChIKey of N-(2-ethylphenyl)-2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is TZNKCXJOCKJLRG-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-15-6-3-4-7-18(15)21-20(24)14-22-13-5-8-19(22)16-9-11-17(23)12-10-16/h3-4,6-7,9-12,19,23H,2,5,8,13-14H2,1H3,(H,21,24)/t19-/m0/s1.
What are the key properties of N-(2-ethylphenyl)-2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 324.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 94178915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).