N-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide

C23H25N3O4 — CID 8626273

IUPACN-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1=O
InChIInChI=1S/C23H25N3O4/c1-2-14-25-21(28)22(29)26(23(25)30)17-20(27)24(16-19-11-7-4-8-12-19)15-13-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3
InChIKeyFOYGQNGKQDIPRJ-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.46
Rot. Bonds9

About N-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide

N-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (PubChem CID 8626273) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
PubChem CID8626273
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1=O
InChIInChI=1S/C23H25N3O4/c1-2-14-25-21(28)22(29)26(23(25)30)17-20(27)24(16-19-11-7-4-8-12-19)15-13-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3
InChIKeyFOYGQNGKQDIPRJ-UHFFFAOYSA-N
XLogP2.46
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.46
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

2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide
CID 2536296
N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 120648313
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
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-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
CID 112791256
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
N-ethyl-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 9341883
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626885
N-ethyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
CID 55587303
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9072690
N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 120648461

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The IUPAC name of N-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (CID 8626273) is N-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is CCCN1C(=O)C(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1=O.
What is the InChIKey of N-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The InChIKey is FOYGQNGKQDIPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-2-14-25-21(28)22(29)26(23(25)30)17-20(27)24(16-19-11-7-4-8-12-19)15-13-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3.
What are the key properties of N-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
N-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 8626273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).