N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide

C21H24N2O3 — CID 71839005

IUPACN-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC1CCN(c2cc(C)cc(C)c2)C1=O
InChIInChI=1S/C21H24N2O3/c1-14-10-15(2)12-17(11-14)23-9-8-18(21(23)25)22-20(24)13-16-6-4-5-7-19(16)26-3/h4-7,10-12,18H,8-9,13H2,1-3H3,(H,22,24)
InChIKeyFSGOLGQKQXNJHJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.78
Rot. Bonds5

About N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide

N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide (PubChem CID 71839005) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide
PubChem CID71839005
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC1CCN(c2cc(C)cc(C)c2)C1=O
InChIInChI=1S/C21H24N2O3/c1-14-10-15(2)12-17(11-14)23-9-8-18(21(23)25)22-20(24)13-16-6-4-5-7-19(16)26-3/h4-7,10-12,18H,8-9,13H2,1-3H3,(H,22,24)
InChIKeyFSGOLGQKQXNJHJ-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide (CID 71839005) is N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NC1CCN(c2cc(C)cc(C)c2)C1=O.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is FSGOLGQKQXNJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-10-15(2)12-17(11-14)23-9-8-18(21(23)25)22-20(24)13-16-6-4-5-7-19(16)26-3/h4-7,10-12,18H,8-9,13H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide?
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 352.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 71839005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).