2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide

C19H25N3O4 — CID 4876963

IUPAC2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)NC(C)CCc2ccccc2)C1=O
InChIInChI=1S/C19H25N3O4/c1-13(2)11-21-17(24)18(25)22(19(21)26)12-16(23)20-14(3)9-10-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,20,23)
InChIKeyYWWTVNCCFYPBHF-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.57
Rot. Bonds8

About 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide

2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 4876963) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
PubChem CID4876963
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)NC(C)CCc2ccccc2)C1=O
InChIInChI=1S/C19H25N3O4/c1-13(2)11-21-17(24)18(25)22(19(21)26)12-16(23)20-14(3)9-10-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,20,23)
InChIKeyYWWTVNCCFYPBHF-UHFFFAOYSA-N
XLogP1.57
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethotoin
CID 3292
(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 9906804
1-Benzylimidazolidine-2,4,5-trione
CID 562619
5-(Phenylmethyl)-2,4-imidazolidinedione
CID 73565
2,4-Imidazolidinedione, 3-(phenylmethyl)-
CID 231959
(5S)-5-benzylimidazolidine-2,4-dione
CID 703698
Smac peptido-mimetic 6h
CID 11176734
3-Benzyl-2,5-dioxo-4,4-dimethylimidazolidine
CID 4601988
Phepropeptin A
CID 11039712
Simufilam
CID 46195331
(5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one
CID 23646442
2-(3-Benzyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 1873399

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide (CID 4876963) is 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide is CC(C)CN1C(=O)C(=O)N(CC(=O)NC(C)CCc2ccccc2)C1=O.
What is the InChIKey of 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is YWWTVNCCFYPBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13(2)11-21-17(24)18(25)22(19(21)26)12-16(23)20-14(3)9-10-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,20,23).
What are the key properties of 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 359.43 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 4876963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).