N-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide

C21H25N3O2 — CID 26542779

IUPACN-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CNc1ccccc1N1CCCC1=O
InChIInChI=1S/C21H25N3O2/c1-3-16-9-6-8-15(2)21(16)23-19(25)14-22-17-10-4-5-11-18(17)24-13-7-12-20(24)26/h4-6,8-11,22H,3,7,12-14H2,1-2H3,(H,23,25)
InChIKeyMWGIFDQYBLOVHH-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.73
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide

N-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide (PubChem CID 26542779) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
PubChem CID26542779
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CNc1ccccc1N1CCCC1=O
InChIInChI=1S/C21H25N3O2/c1-3-16-9-6-8-15(2)21(16)23-19(25)14-22-17-10-4-5-11-18(17)24-13-7-12-20(24)26/h4-6,8-11,22H,3,7,12-14H2,1-2H3,(H,23,25)
InChIKeyMWGIFDQYBLOVHH-UHFFFAOYSA-N
XLogP3.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide (CID 26542779) is N-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide is CCc1cccc(C)c1NC(=O)CNc1ccccc1N1CCCC1=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The InChIKey is MWGIFDQYBLOVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-16-9-6-8-15(2)21(16)23-19(25)14-22-17-10-4-5-11-18(17)24-13-7-12-20(24)26/h4-6,8-11,22H,3,7,12-14H2,1-2H3,(H,23,25).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide is sourced from PubChem (CID 26542779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).