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

C20H22N2O3 — CID 38294113

IUPACN-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCc1cccc(CNC(=O)COc2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C20H22N2O3/c1-15-5-2-6-16(11-15)13-21-19(23)14-25-18-8-3-7-17(12-18)22-10-4-9-20(22)24/h2-3,5-8,11-12H,4,9-10,13-14H2,1H3,(H,21,23)
InChIKeyCQAWVUYYGSFXLT-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.82
Rot. Bonds6

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

N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 38294113) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID38294113
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCc1cccc(CNC(=O)COc2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C20H22N2O3/c1-15-5-2-6-16(11-15)13-21-19(23)14-25-18-8-3-7-17(12-18)22-10-4-9-20(22)24/h2-3,5-8,11-12H,4,9-10,13-14H2,1H3,(H,21,23)
InChIKeyCQAWVUYYGSFXLT-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 39517699
N-[(4-acetamidophenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18154204
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87005089
2-[(3-methylphenyl)methylsulfanyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 39003307
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 39004011
N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38295305
N-(3-aminobutyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119496961
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
2-(4-methyl-2-oxo-1-pyridinyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 75381787
2-(3-methylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687320
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 27554751

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 38294113) is N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is Cc1cccc(CNC(=O)COc2cccc(N3CCCC3=O)c2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is CQAWVUYYGSFXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15-5-2-6-16(11-15)13-21-19(23)14-25-18-8-3-7-17(12-18)22-10-4-9-20(22)24/h2-3,5-8,11-12H,4,9-10,13-14H2,1H3,(H,21,23).
What are the key properties of N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 38294113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).