2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

C23H27N3O3 — CID 27783138

IUPAC2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)Cc2ccc(N3CCCC3=O)cc2)c(C)c1
InChIInChI=1S/C23H27N3O3/c1-15-11-16(2)23(17(3)12-15)25-21(28)14-24-20(27)13-18-6-8-19(9-7-18)26-10-4-5-22(26)29/h6-9,11-12H,4-5,10,13-14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyBHZNVRDTIAZEGI-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.04
Rot. Bonds6

About 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (PubChem CID 27783138) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
PubChem CID27783138
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)Cc2ccc(N3CCCC3=O)cc2)c(C)c1
InChIInChI=1S/C23H27N3O3/c1-15-11-16(2)23(17(3)12-15)25-21(28)14-24-20(27)13-18-6-8-19(9-7-18)26-10-4-5-22(26)29/h6-9,11-12H,4-5,10,13-14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyBHZNVRDTIAZEGI-UHFFFAOYSA-N
XLogP3.04
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide with MolForge

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Related Compounds

N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27783131
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9039877
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26371784
N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24535918
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9305669
2-methoxy-5-[[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]methyl]benzoic acid
CID 45384959
N-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36662997
ethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate
CID 37259431
1-(4-ethylphenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 43009821
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9210686
N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38295305

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The IUPAC name of 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (CID 27783138) is 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.
What is the SMILES notation for 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The canonical SMILES for 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is Cc1cc(C)c(NC(=O)CNC(=O)Cc2ccc(N3CCCC3=O)cc2)c(C)c1.
What is the InChIKey of 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The InChIKey is BHZNVRDTIAZEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15-11-16(2)23(17(3)12-15)25-21(28)14-24-20(27)13-18-6-8-19(9-7-18)26-10-4-5-22(26)29/h6-9,11-12H,4-5,10,13-14H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is sourced from PubChem (CID 27783138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).