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

C21H23N3O5 — CID 8888860

IUPACN-benzyl-N-(furan-2-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccco2)C1=O
InChIInChI=1S/C21H23N3O5/c1-15(2)11-23-19(26)20(27)24(21(23)28)14-18(25)22(13-17-9-6-10-29-17)12-16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3
InChIKeyZWPJUPPMNOYHRK-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.26
Rot. Bonds8

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

N-benzyl-N-(furan-2-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 8888860) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID8888860
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccco2)C1=O
InChIInChI=1S/C21H23N3O5/c1-15(2)11-23-19(26)20(27)24(21(23)28)14-18(25)22(13-17-9-6-10-29-17)12-16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3
InChIKeyZWPJUPPMNOYHRK-UHFFFAOYSA-N
XLogP2.26
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 51148631
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 9374673
2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
CID 55570754
N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 37428744
N-benzyl-N-(furan-2-ylmethyl)-2-(methylamino)acetamide;hydrochloride
CID 120703561
N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652439
N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 60546192
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 3547024
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide
CID 4588626
N-benzyl-N-(furan-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17448524
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide
CID 3988895

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 8888860) is N-benzyl-N-(furan-2-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is CC(C)CN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccco2)C1=O.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is ZWPJUPPMNOYHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-15(2)11-23-19(26)20(27)24(21(23)28)14-18(25)22(13-17-9-6-10-29-17)12-16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3.
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-benzyl-N-(furan-2-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 397.43 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 8888860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).