2-[4-[4-(dimethylamino)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide

C28H32N6O5 — CID 59084727

IUPAC2-[4-[4-(dimethylamino)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide
SMILESCc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)NC(c4ccc(N(C)C)cc4)C3=O)C(C)C)o2)c1
InChIInChI=1S/C28H32N6O5/c1-16(2)23(25(36)26-32-31-22(39-26)14-18-8-6-7-17(3)13-18)29-21(35)15-34-27(37)24(30-28(34)38)19-9-11-20(12-10-19)33(4)5/h6-13,16,23-24H,14-15H2,1-5H3,(H,29,35)(H,30,38)/t23-,24?/m0/s1
InChIKeyLIJIYIBDLVNDPS-UXMRNZNESA-N
MW532.60 g/mol
LogP2.65
Rot. Bonds10

About 2-[4-[4-(dimethylamino)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide

2-[4-[4-(dimethylamino)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide (PubChem CID 59084727) has the molecular formula C28H32N6O5 and a molecular weight of 532.60 g/mol. Its IUPAC name is 2-[4-[4-(dimethylamino)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-(dimethylamino)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide
PubChem CID59084727
Molecular FormulaC28H32N6O5
Molecular Weight532.60 g/mol
Exact Mass532.24
IUPAC Name2-[4-[4-(dimethylamino)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide
SMILESCc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)NC(c4ccc(N(C)C)cc4)C3=O)C(C)C)o2)c1
InChIInChI=1S/C28H32N6O5/c1-16(2)23(25(36)26-32-31-22(39-26)14-18-8-6-7-17(3)13-18)29-21(35)15-34-27(37)24(30-28(34)38)19-9-11-20(12-10-19)33(4)5/h6-13,16,23-24H,14-15H2,1-5H3,(H,29,35)(H,30,38)/t23-,24?/m0/s1
InChIKeyLIJIYIBDLVNDPS-UXMRNZNESA-N
XLogP2.65
TPSA137.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.60
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-[4-[4-(dimethylamino)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(dimethylamino)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?
The IUPAC name of 2-[4-[4-(dimethylamino)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide (CID 59084727) is 2-[4-[4-(dimethylamino)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for 2-[4-[4-(dimethylamino)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?
The canonical SMILES for 2-[4-[4-(dimethylamino)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide is Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)NC(c4ccc(N(C)C)cc4)C3=O)C(C)C)o2)c1.
What is the InChIKey of 2-[4-[4-(dimethylamino)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?
The InChIKey is LIJIYIBDLVNDPS-UXMRNZNESA-N. The full InChI is InChI=1S/C28H32N6O5/c1-16(2)23(25(36)26-32-31-22(39-26)14-18-8-6-7-17(3)13-18)29-21(35)15-34-27(37)24(30-28(34)38)19-9-11-20(12-10-19)33(4)5/h6-13,16,23-24H,14-15H2,1-5H3,(H,29,35)(H,30,38)/t23-,24?/m0/s1.
What are the key properties of 2-[4-[4-(dimethylamino)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?
2-[4-[4-(dimethylamino)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide has a molecular weight of 532.60 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(dimethylamino)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 59084727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).