2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide

C22H23N3O4 — CID 2536296

IUPAC2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide
SMILESCN1C(=O)C(=O)N(CC(=O)N(CCc2ccccc2)CCc2ccccc2)C1=O
InChIInChI=1S/C22H23N3O4/c1-23-20(27)21(28)25(22(23)29)16-19(26)24(14-12-17-8-4-2-5-9-17)15-13-18-10-6-3-7-11-18/h2-11H,12-16H2,1H3
InChIKeyKTDCCCZIQSYNBS-UHFFFAOYSA-N
MW393.44 g/mol
LogP1.72
Rot. Bonds8

About 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide

2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide (PubChem CID 2536296) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide
PubChem CID2536296
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide
SMILESCN1C(=O)C(=O)N(CC(=O)N(CCc2ccccc2)CCc2ccccc2)C1=O
InChIInChI=1S/C22H23N3O4/c1-23-20(27)21(28)25(22(23)29)16-19(26)24(14-12-17-8-4-2-5-9-17)15-13-18-10-6-3-7-11-18/h2-11H,12-16H2,1H3
InChIKeyKTDCCCZIQSYNBS-UHFFFAOYSA-N
XLogP1.72
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.72
H-Bond Donors ≤ 50
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

N-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626273
N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 120648313
N-ethyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
CID 55587303
2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide
CID 52553124
N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652439
N-benzyl-N-(2-phenylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 3666061
N-(2-aminoethyl)-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide
CID 120885504
1-[2-(2-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
CID 60623690
N-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 43376263
N-(2-aminoethyl)-2-(2-oxo-3H-benzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 120885102
N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 120886492
N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 55587797

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide?
The IUPAC name of 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide (CID 2536296) is 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide is CN1C(=O)C(=O)N(CC(=O)N(CCc2ccccc2)CCc2ccccc2)C1=O.
What is the InChIKey of 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide?
The InChIKey is KTDCCCZIQSYNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-23-20(27)21(28)25(22(23)29)16-19(26)24(14-12-17-8-4-2-5-9-17)15-13-18-10-6-3-7-11-18/h2-11H,12-16H2,1H3.
What are the key properties of 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide?
2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 1.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide is sourced from PubChem (CID 2536296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).