4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide

C24H28N2O3 — CID 48824060

IUPAC4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NC(C)c2ccc(N3CCCC3=O)cc2)cc1C
InChIInChI=1S/C24H28N2O3/c1-16-6-7-20(15-17(16)2)22(27)12-13-23(28)25-18(3)19-8-10-21(11-9-19)26-14-4-5-24(26)29/h6-11,15,18H,4-5,12-14H2,1-3H3,(H,25,28)
InChIKeyPNZVXHLJLWACMC-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.27
Rot. Bonds7

About 4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide

4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide (PubChem CID 48824060) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide
PubChem CID48824060
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NC(C)c2ccc(N3CCCC3=O)cc2)cc1C
InChIInChI=1S/C24H28N2O3/c1-16-6-7-20(15-17(16)2)22(27)12-13-23(28)25-18(3)19-8-10-21(11-9-19)26-14-4-5-24(26)29/h6-11,15,18H,4-5,12-14H2,1-3H3,(H,25,28)
InChIKeyPNZVXHLJLWACMC-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide with MolForge

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Related Compounds

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 9128794
2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119755928
2-(cyclopropylmethylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755935
4-(2-oxopyrrolidin-1-yl)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657710
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26371784
2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307520
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9039877
3,4-dimethyl-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687280
1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one
CID 43161134
4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide
CID 78856614
4-(3,4-dimethylphenyl)-4-oxo-N'-[2-(2-oxoazepan-1-yl)acetyl]butanehydrazide
CID 9186151

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide (CID 48824060) is 4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide is Cc1ccc(C(=O)CCC(=O)NC(C)c2ccc(N3CCCC3=O)cc2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide?
The InChIKey is PNZVXHLJLWACMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16-6-7-20(15-17(16)2)22(27)12-13-23(28)25-18(3)19-8-10-21(11-9-19)26-14-4-5-24(26)29/h6-11,15,18H,4-5,12-14H2,1-3H3,(H,25,28).
What are the key properties of 4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide?
4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide has a molecular weight of 392.50 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide is sourced from PubChem (CID 48824060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).