2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide

C23H27N3O3 — CID 51213638

IUPAC2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(C(=O)Nc1cccc(N2CCCC2=O)c1)C(C)C
InChIInChI=1S/C23H27N3O3/c1-15(2)21(25-22(28)19-11-5-4-8-16(19)3)23(29)24-17-9-6-10-18(14-17)26-13-7-12-20(26)27/h4-6,8-11,14-15,21H,7,12-13H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyYNJJIDSNLNZDFN-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.51
Rot. Bonds6

About 2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide

2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide (PubChem CID 51213638) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
PubChem CID51213638
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(C(=O)Nc1cccc(N2CCCC2=O)c1)C(C)C
InChIInChI=1S/C23H27N3O3/c1-15(2)21(25-22(28)19-11-5-4-8-16(19)3)23(29)24-17-9-6-10-18(14-17)26-13-7-12-20(26)27/h4-6,8-11,14-15,21H,7,12-13H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyYNJJIDSNLNZDFN-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide with MolForge

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Related Compounds

4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide
CID 112819938
3-[[(2R)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]benzoic acid
CID 40917495
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
N-[1-(3-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
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N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 9369295
N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
CID 55355341
2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 116677234
2-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 119290000
3-amino-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide
CID 119692837
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 47020354
2-methyl-N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 9138694
2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51149358

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide (CID 51213638) is 2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide is Cc1ccccc1C(=O)NC(C(=O)Nc1cccc(N2CCCC2=O)c1)C(C)C.
What is the InChIKey of 2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide?
The InChIKey is YNJJIDSNLNZDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15(2)21(25-22(28)19-11-5-4-8-16(19)3)23(29)24-17-9-6-10-18(14-17)26-13-7-12-20(26)27/h4-6,8-11,14-15,21H,7,12-13H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of 2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide?
2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide is sourced from PubChem (CID 51213638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).