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

C21H26N2O2 — CID 9087672

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
SMILESCCN1CCC[C@H]1CNC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-2-23-14-6-9-19(23)15-22-21(24)16-25-20-12-10-18(11-13-20)17-7-4-3-5-8-17/h3-5,7-8,10-13,19H,2,6,9,14-16H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeySWOMHDXPLKLFMX-IBGZPJMESA-N
MW338.45 g/mol
LogP3.33
Rot. Bonds7

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

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide (PubChem CID 9087672) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
PubChem CID9087672
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
SMILESCCN1CCC[C@H]1CNC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-2-23-14-6-9-19(23)15-22-21(24)16-25-20-12-10-18(11-13-20)17-7-4-3-5-8-17/h3-5,7-8,10-13,19H,2,6,9,14-16H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeySWOMHDXPLKLFMX-IBGZPJMESA-N
XLogP3.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087674
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 8839794
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
2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 61090043
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide
CID 124754501
N-cyclopropyl-2-[4-[2-[[N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]phenoxy]acetamide
CID 111261147
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-oxo-5-phenylpyrazin-1-yl)acetamide
CID 97264553
4-butoxy-N-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]benzamide
CID 60589470
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 24706556
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119952665

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide (CID 9087672) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide is CCN1CCC[C@H]1CNC(=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide?
The InChIKey is SWOMHDXPLKLFMX-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-23-14-6-9-19(23)15-22-21(24)16-25-20-12-10-18(11-13-20)17-7-4-3-5-8-17/h3-5,7-8,10-13,19H,2,6,9,14-16H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 9087672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).