N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide

C23H27N3O3 — CID 78788339

IUPACN-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H27N3O3/c1-3-16(2)21(25-22(28)17-8-5-4-6-9-17)23(29)24-18-11-13-19(14-12-18)26-15-7-10-20(26)27/h4-6,8-9,11-14,16,21H,3,7,10,15H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyXTLGALCFAYHTGN-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.60
Rot. Bonds7

About N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide

N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide (PubChem CID 78788339) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide
PubChem CID78788339
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H27N3O3/c1-3-16(2)21(25-22(28)17-8-5-4-6-9-17)23(29)24-18-11-13-19(14-12-18)26-15-7-10-20(26)27/h4-6,8-9,11-14,16,21H,3,7,10,15H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyXTLGALCFAYHTGN-UHFFFAOYSA-N
XLogP3.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide
CID 9371180
N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
CID 55355341
N-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55676128
N-[4-methylsulfanyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
CID 18271840
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
CID 39953572
4-(2-oxopyrrolidin-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 40515622
4-(2-oxopyrrolidin-1-yl)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657710
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 8751476

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide?
The IUPAC name of N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide (CID 78788339) is N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide?
The InChIKey is XTLGALCFAYHTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-3-16(2)21(25-22(28)17-8-5-4-6-9-17)23(29)24-18-11-13-19(14-12-18)26-15-7-10-20(26)27/h4-6,8-9,11-14,16,21H,3,7,10,15H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide?
N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide is sourced from PubChem (CID 78788339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).