N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide

C22H28N2O3 — CID 8839794

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
SMILESCCN1CCC[C@H]1CNC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-2-24-14-6-9-19(24)15-23-22(25)17-27-21-12-10-20(11-13-21)26-16-18-7-4-3-5-8-18/h3-5,7-8,10-13,19H,2,6,9,14-17H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyFLAYMEHMLHKVSQ-IBGZPJMESA-N
MW368.48 g/mol
LogP3.24
Rot. Bonds9

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide (PubChem CID 8839794) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
PubChem CID8839794
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
SMILESCCN1CCC[C@H]1CNC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-2-24-14-6-9-19(24)15-23-22(25)17-27-21-12-10-20(11-13-21)26-16-18-7-4-3-5-8-18/h3-5,7-8,10-13,19H,2,6,9,14-17H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyFLAYMEHMLHKVSQ-IBGZPJMESA-N
XLogP3.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087672
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087674
2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 9087668
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 56951797
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine;hydroiodide
CID 111047625
2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 61090043
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 61399758
2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide
CID 124754501
N-(oxolan-2-ylmethyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 18168439
N-cyclopropyl-2-[4-[2-[[N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]phenoxy]acetamide
CID 111261147

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide (CID 8839794) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide is CCN1CCC[C@H]1CNC(=O)COc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide?
The InChIKey is FLAYMEHMLHKVSQ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N2O3/c1-2-24-14-6-9-19(24)15-23-22(25)17-27-21-12-10-20(11-13-21)26-16-18-7-4-3-5-8-18/h3-5,7-8,10-13,19H,2,6,9,14-17H2,1H3,(H,23,25)/t19-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide is sourced from PubChem (CID 8839794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).