N-[(4-ethylphenyl)methyl]-N-methyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

C22H26N2O3 — CID 18097963

IUPACN-[(4-ethylphenyl)methyl]-N-methyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCCc1ccc(CN(C)C(=O)COc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C22H26N2O3/c1-3-17-9-11-18(12-10-17)15-23(2)22(26)16-27-20-7-4-6-19(14-20)24-13-5-8-21(24)25/h4,6-7,9-12,14H,3,5,8,13,15-16H2,1-2H3
InChIKeyZVTSZDGMTKKWLZ-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.41
Rot. Bonds7

About N-[(4-ethylphenyl)methyl]-N-methyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

N-[(4-ethylphenyl)methyl]-N-methyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 18097963) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N-methyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N-methyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID18097963
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(4-ethylphenyl)methyl]-N-methyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCCc1ccc(CN(C)C(=O)COc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C22H26N2O3/c1-3-17-9-11-18(12-10-17)15-23(2)22(26)16-27-20-7-4-6-19(14-20)24-13-5-8-21(24)25/h4,6-7,9-12,14H,3,5,8,13,15-16H2,1-2H3
InChIKeyZVTSZDGMTKKWLZ-UHFFFAOYSA-N
XLogP3.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51240858
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728166
2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-propylamino]acetic acid
CID 119205241
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27822823
N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27666071
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87005089
2-[3-(2-oxopiperidin-1-yl)phenoxy]ethanethioamide
CID 43369803
N-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886483
methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate
CID 79620550
N-[(4-acetamidophenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18154204
N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(2-phenylphenyl)methyl]acetamide
CID 60618275
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 18097963) is N-[(4-ethylphenyl)methyl]-N-methyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N-methyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N-methyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is CCc1ccc(CN(C)C(=O)COc2cccc(N3CCCC3=O)c2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N-methyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is ZVTSZDGMTKKWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-17-9-11-18(12-10-17)15-23(2)22(26)16-27-20-7-4-6-19(14-20)24-13-5-8-21(24)25/h4,6-7,9-12,14H,3,5,8,13,15-16H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-N-methyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-[(4-ethylphenyl)methyl]-N-methyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 366.46 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N-methyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 18097963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).