N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride

C21H26ClN3O3 — CID 119439937

IUPACN-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)COc1ccc(N2CCCC2=O)cc1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-2-22-14-16-6-3-4-7-19(16)23-20(25)15-27-18-11-9-17(10-12-18)24-13-5-8-21(24)26;/h3-4,6-7,9-12,22H,2,5,8,13-15H2,1H3,(H,23,25);1H
InChIKeyHSLFIJXOMYHPJF-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.36
Rot. Bonds8

About N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride (PubChem CID 119439937) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
PubChem CID119439937
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)COc1ccc(N2CCCC2=O)cc1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-2-22-14-16-6-3-4-7-19(16)23-20(25)15-27-18-11-9-17(10-12-18)24-13-5-8-21(24)26;/h3-4,6-7,9-12,22H,2,5,8,13-15H2,1H3,(H,23,25);1H
InChIKeyHSLFIJXOMYHPJF-UHFFFAOYSA-N
XLogP3.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenoxy)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439853
N-(6-amino-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
CID 119618575
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839
N-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119439649
N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964
1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 119646587
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 55663985
methyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 26685968
N-(2-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7750845
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(3-phenoxyphenyl)acetamide
CID 55411979
2-(4-methoxyphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687329
N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119570570

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride (CID 119439937) is N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride is CCNCc1ccccc1NC(=O)COc1ccc(N2CCCC2=O)cc1.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride?
The InChIKey is HSLFIJXOMYHPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3.ClH/c1-2-22-14-16-6-3-4-7-19(16)23-20(25)15-27-18-11-9-17(10-12-18)24-13-5-8-21(24)26;/h3-4,6-7,9-12,22H,2,5,8,13-15H2,1H3,(H,23,25);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 119439937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).