N-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride

C22H28ClN3O3 — CID 120886483

IUPACN-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)COc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C22H27N3O3.ClH/c23-12-15-24(14-11-18-6-2-1-3-7-18)22(27)17-28-20-9-4-8-19(16-20)25-13-5-10-21(25)26;/h1-4,6-9,16H,5,10-15,17,23H2;1H
InChIKeyWFGFZAMKTXPMQR-UHFFFAOYSA-N
MW417.94 g/mol
LogP2.64
Rot. Bonds9

About N-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride

N-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride (PubChem CID 120886483) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride
PubChem CID120886483
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC NameN-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)COc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C22H27N3O3.ClH/c23-12-15-24(14-11-18-6-2-1-3-7-18)22(27)17-28-20-9-4-8-19(16-20)25-13-5-10-21(25)26;/h1-4,6-9,16H,5,10-15,17,23H2;1H
InChIKeyWFGFZAMKTXPMQR-UHFFFAOYSA-N
XLogP2.64
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-propylamino]acetic acid
CID 119205241
2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide
CID 120884790
N-(2-aminoethyl)-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide
CID 120885504
N-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120885063
N-[(4-ethylphenyl)methyl]-N-methyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18097963
N-(3-aminobutyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119496961
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 38294113
4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43665961
2-[3-(2-oxopiperidin-1-yl)phenoxy]ethanethioamide
CID 43369803
N-(2-aminoethyl)-2-(2-fluorophenoxy)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884947
1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 68967881

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride (CID 120886483) is N-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride is Cl.NCCN(CCc1ccccc1)C(=O)COc1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride?
The InChIKey is WFGFZAMKTXPMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.ClH/c23-12-15-24(14-11-18-6-2-1-3-7-18)22(27)17-28-20-9-4-8-19(16-20)25-13-5-10-21(25)26;/h1-4,6-9,16H,5,10-15,17,23H2;1H.
What are the key properties of N-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride?
N-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride is sourced from PubChem (CID 120886483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).