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

C23H27N3O3 — CID 9371180

IUPACN-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](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)/t16-,21-/m0/s1
InChIKeyXTLGALCFAYHTGN-KKSFZXQISA-N
MW393.49 g/mol
LogP3.60
Rot. Bonds7

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

N-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide (PubChem CID 9371180) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide
PubChem CID9371180
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](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)/t16-,21-/m0/s1
InChIKeyXTLGALCFAYHTGN-KKSFZXQISA-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

Analyze N-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide
CID 78788339
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-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide?
The IUPAC name of N-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide (CID 9371180) is N-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide.
What is the SMILES notation for N-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide?
The canonical SMILES for N-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide is CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide?
The InChIKey is XTLGALCFAYHTGN-KKSFZXQISA-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)/t16-,21-/m0/s1.
What are the key properties of N-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide?
N-[(2S,3S)-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-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide is sourced from PubChem (CID 9371180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).